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Help:   
      This Crystallographic Information File browser gives acces to the content of the Cif file
      Data are stored in two ways, SimpleKey - value, or LoopKeys whith lists of values.
      
      First select a Cif file
            give a CifEntry (ie 1qru) it will be dowloaded from  https://files.rcsb.org/download/1qru.cif"
         or get existing files from the server
         or upload a cif file from your computer
      
      Some relevant data are automatically displayed on the main page
      In the left part of the page click on a GlobalKey, a SimpleKey or a LoopKey with subkey 

      Get help about available Cif functions with Cif Help, CifAsym Help, CifEntity Help, etc
      All these functions can be called in command line mode
          or from any other program querying gscope directly
          or through the CafeDesScience (qds Zero Cif Help)
          or as webservice (see Cif Help)
          

      See the 3d structure with the Ngl button
      
      Raymond
To get a Cif file :    Give a cif entry    or    Get a file from the server Get a file from the server and press    or    Upload your file Upload your file : first then select the server directory and ... current Cif store/synthetases/4Q6G.cif 


see global keys


Cif Help
Cif File Value
Cif Text
Cif ValuesOf SimpleKeys
Cif ListOf Key
Cif ListOf SimpleKey
Cif ListOf SimpleKeyClass
Cif ListOf LoopKey
Cif ListOf LoopKeyClass
Cif AsymAndEntities
Cif _entity ListOfLines
CifEntity
CifEntity Help
CifEntity 2 _entity pdbx_description
CifEntity 2 Sequence
CifEx Help
CifAsym Help
CifAsym ListOf LabelAuth
CifAsym ListOf Label
CifAsym L Auth
CifAsym A Label
CifAsym Auth_A _entity.id



see simple Cif keys


Cif _entry.id
Cif _audit_conform.dict_name
Cif _audit_conform.dict_version
Cif _audit_conform.dict_location
Cif _pdbx_database_status.status_code
Cif _pdbx_database_status.entry_id
Cif _pdbx_database_status.recvd_initial_deposition_date
Cif _pdbx_database_status.deposit_site
Cif _pdbx_database_status.process_site
Cif _pdbx_database_status.status_code_sf
Cif _pdbx_database_status.status_code_mr
Cif _pdbx_database_status.SG_entry
Cif _pdbx_database_status.status_code_cs
Cif _pdbx_database_status.methods_development_category
Cif _pdbx_database_status.pdb_format_compatible
Cif _citation.id
Cif _citation.title
Cif _citation.journal_abbrev
Cif _citation.journal_volume
Cif _citation.page_first
Cif _citation.page_last
Cif _citation.year
Cif _citation.journal_id_ASTM
Cif _citation.country
Cif _citation.journal_id_ISSN
Cif _citation.journal_id_CSD
Cif _citation.book_publisher
Cif _citation.pdbx_database_id_PubMed
Cif _citation.pdbx_database_id_DOI
Cif _cell.entry_id
Cif _cell.length_a
Cif _cell.length_b
Cif _cell.length_c
Cif _cell.angle_alpha
Cif _cell.angle_beta
Cif _cell.angle_gamma
Cif _cell.Z_PDB
Cif _cell.pdbx_unique_axis
Cif _cell.length_a_esd
Cif _cell.length_b_esd
Cif _cell.length_c_esd
Cif _cell.angle_alpha_esd
Cif _cell.angle_beta_esd
Cif _cell.angle_gamma_esd
Cif _symmetry.entry_id
Cif _symmetry.space_group_name_H-M
Cif _symmetry.pdbx_full_space_group_name_H-M
Cif _symmetry.cell_setting
Cif _symmetry.Int_Tables_number
Cif _symmetry.space_group_name_Hall
Cif _entity_name_com.entity_id
Cif _entity_name_com.name
Cif _entity_poly.entity_id
Cif _entity_poly.type
Cif _entity_poly.nstd_linkage
Cif _entity_poly.nstd_monomer
Cif _entity_poly.pdbx_seq_one_letter_code
Cif _entity_poly.pdbx_seq_one_letter_code_can
Cif _entity_poly.pdbx_strand_id
Cif _entity_poly.pdbx_target_identifier
Cif _entity_src_gen.entity_id
Cif _entity_src_gen.pdbx_src_id
Cif _entity_src_gen.pdbx_alt_source_flag
Cif _entity_src_gen.pdbx_seq_type
Cif _entity_src_gen.pdbx_beg_seq_num
Cif _entity_src_gen.pdbx_end_seq_num
Cif _entity_src_gen.gene_src_common_name
Cif _entity_src_gen.gene_src_genus
Cif _entity_src_gen.pdbx_gene_src_gene
Cif _entity_src_gen.gene_src_species
Cif _entity_src_gen.gene_src_strain
Cif _entity_src_gen.gene_src_tissue
Cif _entity_src_gen.gene_src_tissue_fraction
Cif _entity_src_gen.gene_src_details
Cif _entity_src_gen.pdbx_gene_src_fragment
Cif _entity_src_gen.pdbx_gene_src_scientific_name
Cif _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id
Cif _entity_src_gen.pdbx_gene_src_variant
Cif _entity_src_gen.pdbx_gene_src_cell_line
Cif _entity_src_gen.pdbx_gene_src_atcc
Cif _entity_src_gen.pdbx_gene_src_organ
Cif _entity_src_gen.pdbx_gene_src_organelle
Cif _entity_src_gen.pdbx_gene_src_cell
Cif _entity_src_gen.pdbx_gene_src_cellular_location
Cif _entity_src_gen.host_org_common_name
Cif _entity_src_gen.pdbx_host_org_scientific_name
Cif _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id
Cif _entity_src_gen.host_org_genus
Cif _entity_src_gen.pdbx_host_org_gene
Cif _entity_src_gen.pdbx_host_org_organ
Cif _entity_src_gen.host_org_species
Cif _entity_src_gen.pdbx_host_org_tissue
Cif _entity_src_gen.pdbx_host_org_tissue_fraction
Cif _entity_src_gen.pdbx_host_org_strain
Cif _entity_src_gen.pdbx_host_org_variant
Cif _entity_src_gen.pdbx_host_org_cell_line
Cif _entity_src_gen.pdbx_host_org_atcc
Cif _entity_src_gen.pdbx_host_org_culture_collection
Cif _entity_src_gen.pdbx_host_org_cell
Cif _entity_src_gen.pdbx_host_org_organelle
Cif _entity_src_gen.pdbx_host_org_cellular_location
Cif _entity_src_gen.pdbx_host_org_vector_type
Cif _entity_src_gen.pdbx_host_org_vector
Cif _entity_src_gen.host_org_details
Cif _entity_src_gen.expression_system_id
Cif _entity_src_gen.plasmid_name
Cif _entity_src_gen.plasmid_details
Cif _entity_src_gen.pdbx_description
Cif _struct_ref.id
Cif _struct_ref.db_name
Cif _struct_ref.db_code
Cif _struct_ref.pdbx_db_accession
Cif _struct_ref.entity_id
Cif _struct_ref.pdbx_seq_one_letter_code
Cif _struct_ref.pdbx_align_begin
Cif _struct_ref.pdbx_db_isoform
Cif _struct_ref_seq.align_id
Cif _struct_ref_seq.ref_id
Cif _struct_ref_seq.pdbx_PDB_id_code
Cif _struct_ref_seq.pdbx_strand_id
Cif _struct_ref_seq.seq_align_beg
Cif _struct_ref_seq.pdbx_seq_align_beg_ins_code
Cif _struct_ref_seq.seq_align_end
Cif _struct_ref_seq.pdbx_seq_align_end_ins_code
Cif _struct_ref_seq.pdbx_db_accession
Cif _struct_ref_seq.db_align_beg
Cif _struct_ref_seq.pdbx_db_align_beg_ins_code
Cif _struct_ref_seq.db_align_end
Cif _struct_ref_seq.pdbx_db_align_end_ins_code
Cif _struct_ref_seq.pdbx_auth_seq_align_beg
Cif _struct_ref_seq.pdbx_auth_seq_align_end
Cif _exptl.entry_id
Cif _exptl.method
Cif _exptl.crystals_number
Cif _exptl_crystal.id
Cif _exptl_crystal.density_meas
Cif _exptl_crystal.density_Matthews
Cif _exptl_crystal.density_percent_sol
Cif _exptl_crystal.description
Cif _exptl_crystal.F_000
Cif _exptl_crystal.preparation
Cif _exptl_crystal_grow.crystal_id
Cif _exptl_crystal_grow.method
Cif _exptl_crystal_grow.temp
Cif _exptl_crystal_grow.temp_details
Cif _exptl_crystal_grow.pH
Cif _exptl_crystal_grow.pdbx_pH_range
Cif _exptl_crystal_grow.pdbx_details
Cif _diffrn.id
Cif _diffrn.ambient_temp
Cif _diffrn.ambient_temp_details
Cif _diffrn.crystal_id
Cif _diffrn_detector.diffrn_id
Cif _diffrn_detector.detector
Cif _diffrn_detector.type
Cif _diffrn_detector.pdbx_collection_date
Cif _diffrn_detector.details
Cif _diffrn_radiation.diffrn_id
Cif _diffrn_radiation.wavelength_id
Cif _diffrn_radiation.pdbx_monochromatic_or_laue_m_l
Cif _diffrn_radiation.monochromator
Cif _diffrn_radiation.pdbx_diffrn_protocol
Cif _diffrn_radiation.pdbx_scattering_type
Cif _diffrn_radiation_wavelength.id
Cif _diffrn_radiation_wavelength.wavelength
Cif _diffrn_radiation_wavelength.wt
Cif _diffrn_source.diffrn_id
Cif _diffrn_source.source
Cif _diffrn_source.type
Cif _diffrn_source.pdbx_synchrotron_site
Cif _diffrn_source.pdbx_synchrotron_beamline
Cif _diffrn_source.pdbx_wavelength
Cif _diffrn_source.pdbx_wavelength_list
Cif _reflns.pdbx_diffrn_id
Cif _reflns.pdbx_ordinal
Cif _reflns.entry_id
Cif _reflns.observed_criterion_sigma_I
Cif _reflns.observed_criterion_sigma_F
Cif _reflns.d_resolution_low
Cif _reflns.d_resolution_high
Cif _reflns.number_obs
Cif _reflns.number_all
Cif _reflns.percent_possible_obs
Cif _reflns.pdbx_Rmerge_I_obs
Cif _reflns.pdbx_Rsym_value
Cif _reflns.pdbx_netI_over_sigmaI
Cif _reflns.B_iso_Wilson_estimate
Cif _reflns.pdbx_redundancy
Cif _reflns.R_free_details
Cif _reflns.limit_h_max
Cif _reflns.limit_h_min
Cif _reflns.limit_k_max
Cif _reflns.limit_k_min
Cif _reflns.limit_l_max
Cif _reflns.limit_l_min
Cif _reflns.observed_criterion_F_max
Cif _reflns.observed_criterion_F_min
Cif _reflns.pdbx_chi_squared
Cif _reflns.pdbx_scaling_rejects
Cif _refine.pdbx_refine_id
Cif _refine.entry_id
Cif _refine.pdbx_diffrn_id
Cif _refine.pdbx_TLS_residual_ADP_flag
Cif _refine.ls_number_reflns_obs
Cif _refine.ls_number_reflns_all
Cif _refine.pdbx_ls_sigma_I
Cif _refine.pdbx_ls_sigma_F
Cif _refine.pdbx_data_cutoff_high_absF
Cif _refine.pdbx_data_cutoff_low_absF
Cif _refine.pdbx_data_cutoff_high_rms_absF
Cif _refine.ls_d_res_low
Cif _refine.ls_d_res_high
Cif _refine.ls_percent_reflns_obs
Cif _refine.ls_R_factor_obs
Cif _refine.ls_R_factor_all
Cif _refine.ls_R_factor_R_work
Cif _refine.ls_R_factor_R_free
Cif _refine.ls_R_factor_R_free_error
Cif _refine.ls_R_factor_R_free_error_details
Cif _refine.ls_percent_reflns_R_free
Cif _refine.ls_number_reflns_R_free
Cif _refine.ls_number_parameters
Cif _refine.ls_number_restraints
Cif _refine.occupancy_min
Cif _refine.occupancy_max
Cif _refine.correlation_coeff_Fo_to_Fc
Cif _refine.correlation_coeff_Fo_to_Fc_free
Cif _refine.B_iso_mean
Cif _refine.solvent_model_details
Cif _refine.solvent_model_param_ksol
Cif _refine.solvent_model_param_bsol
Cif _refine.pdbx_solvent_vdw_probe_radii
Cif _refine.pdbx_solvent_ion_probe_radii
Cif _refine.pdbx_solvent_shrinkage_radii
Cif _refine.pdbx_ls_cross_valid_method
Cif _refine.details
Cif _refine.pdbx_starting_model
Cif _refine.pdbx_method_to_determine_struct
Cif _refine.pdbx_isotropic_thermal_model
Cif _refine.pdbx_stereochemistry_target_values
Cif _refine.pdbx_stereochem_target_val_spec_case
Cif _refine.pdbx_R_Free_selection_details
Cif _refine.pdbx_overall_ESU_R
Cif _refine.pdbx_overall_ESU_R_Free
Cif _refine.overall_SU_ML
Cif _refine.pdbx_overall_phase_error
Cif _refine.overall_SU_B
Cif _refine.overall_SU_R_Cruickshank_DPI
Cif _refine.pdbx_overall_SU_R_free_Cruickshank_DPI
Cif _refine.pdbx_overall_SU_R_Blow_DPI
Cif _refine.pdbx_overall_SU_R_free_Blow_DPI
Cif _refine.ls_redundancy_reflns_obs
Cif _refine.B_iso_min
Cif _refine.B_iso_max
Cif _refine.overall_SU_R_free
Cif _refine.ls_wR_factor_R_free
Cif _refine.ls_wR_factor_R_work
Cif _refine.overall_FOM_free_R_set
Cif _refine.overall_FOM_work_R_set
Cif _refine_hist.pdbx_refine_id
Cif _refine_hist.cycle_id
Cif _refine_hist.pdbx_number_atoms_protein
Cif _refine_hist.pdbx_number_atoms_nucleic_acid
Cif _refine_hist.pdbx_number_atoms_ligand
Cif _refine_hist.number_atoms_solvent
Cif _refine_hist.number_atoms_total
Cif _refine_hist.d_res_high
Cif _refine_hist.d_res_low
Cif _refine_ls_shell.pdbx_refine_id
Cif _refine_ls_shell.pdbx_total_number_of_bins_used
Cif _refine_ls_shell.d_res_high
Cif _refine_ls_shell.d_res_low
Cif _refine_ls_shell.number_reflns_R_work
Cif _refine_ls_shell.R_factor_R_work
Cif _refine_ls_shell.percent_reflns_obs
Cif _refine_ls_shell.R_factor_R_free
Cif _refine_ls_shell.R_factor_R_free_error
Cif _refine_ls_shell.percent_reflns_R_free
Cif _refine_ls_shell.number_reflns_R_free
Cif _refine_ls_shell.number_reflns_all
Cif _refine_ls_shell.R_factor_all
Cif _refine_ls_shell.redundancy_reflns_obs
Cif _refine_ls_shell.number_reflns_obs
Cif _pdbx_refine.pdbx_refine_id
Cif _pdbx_refine.entry_id
Cif _pdbx_refine.R_factor_all_no_cutoff
Cif _pdbx_refine.R_factor_obs_no_cutoff
Cif _pdbx_refine.free_R_factor_no_cutoff
Cif _pdbx_refine.free_R_error_no_cutoff
Cif _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff
Cif _pdbx_refine.free_R_val_test_set_ct_no_cutoff
Cif _pdbx_refine.R_factor_all_4sig_cutoff
Cif _pdbx_refine.R_factor_obs_4sig_cutoff
Cif _pdbx_refine.free_R_factor_4sig_cutoff
Cif _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff
Cif _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff
Cif _pdbx_refine.number_reflns_obs_4sig_cutoff
Cif _struct.entry_id
Cif _struct.title
Cif _struct.pdbx_descriptor
Cif _struct.pdbx_model_details
Cif _struct.pdbx_CASP_flag
Cif _struct.pdbx_model_type_details
Cif _struct_keywords.entry_id
Cif _struct_keywords.pdbx_keywords
Cif _struct_keywords.text
Cif _struct_biol.id
Cif _struct_biol.details
Cif _struct_conf_type.id
Cif _struct_conf_type.criteria
Cif _struct_conf_type.reference
Cif _database_PDB_matrix.entry_id
Cif _atom_sites.entry_id
Cif _pdbx_struct_assembly.id
Cif _pdbx_struct_assembly.details
Cif _pdbx_struct_assembly.method_details
Cif _pdbx_struct_assembly.oligomeric_details
Cif _pdbx_struct_assembly.oligomeric_count
Cif _pdbx_struct_assembly_gen.assembly_id
Cif _pdbx_struct_assembly_gen.oper_expression
Cif _pdbx_struct_assembly_gen.asym_id_list
Cif _pdbx_struct_oper_list.id
Cif _pdbx_struct_oper_list.type
Cif _pdbx_struct_oper_list.name
Cif _pdbx_struct_oper_list.symmetry_operation
Cif _pdbx_audit_revision_details.ordinal
Cif _pdbx_audit_revision_details.revision_ordinal
Cif _pdbx_audit_revision_details.data_content_type
Cif _pdbx_audit_revision_details.provider
Cif _pdbx_audit_revision_details.type
Cif _pdbx_audit_revision_details.description
Cif _pdbx_entry_details.entry_id
Cif _pdbx_entry_details.nonpolymer_details
Cif _pdbx_entry_details.sequence_details
Cif _pdbx_entry_details.compound_details
Cif _pdbx_entry_details.source_details


see Loop Cif keys


 
0 Cif _database_2 LoopLength = 3
0 Cif _database_2 ListOfLines
0 Cif _database_2.database_id
0 Cif _database_2.database_code
 
1 Cif _audit_author LoopLength = 3
1 Cif _audit_author ListOfLines
1 Cif _audit_author.name
1 Cif _audit_author.pdbx_ordinal
 
2 Cif _citation_author LoopLength = 10
2 Cif _citation_author ListOfLines
2 Cif _citation_author.citation_id
2 Cif _citation_author.name
2 Cif _citation_author.ordinal
 
3 Cif _entity LoopLength = 5
3 Cif _entity ListOfLines
3 Cif _entity.id
3 Cif _entity.type
3 Cif _entity.src_method
3 Cif _entity.pdbx_description
3 Cif _entity.formula_weight
3 Cif _entity.pdbx_number_of_molecules
3 Cif _entity.pdbx_ec
3 Cif _entity.pdbx_mutation
3 Cif _entity.pdbx_fragment
3 Cif _entity.details
 
4 Cif _entity_poly_seq LoopLength = 267
4 Cif _entity_poly_seq ListOfLines
4 Cif _entity_poly_seq.entity_id
4 Cif _entity_poly_seq.num
4 Cif _entity_poly_seq.mon_id
4 Cif _entity_poly_seq.hetero
 
5 Cif _struct_ref_seq_dif LoopLength = 6
5 Cif _struct_ref_seq_dif ListOfLines
5 Cif _struct_ref_seq_dif.align_id
5 Cif _struct_ref_seq_dif.pdbx_pdb_id_code
5 Cif _struct_ref_seq_dif.mon_id
5 Cif _struct_ref_seq_dif.pdbx_pdb_strand_id
5 Cif _struct_ref_seq_dif.seq_num
5 Cif _struct_ref_seq_dif.pdbx_pdb_ins_code
5 Cif _struct_ref_seq_dif.pdbx_seq_db_name
5 Cif _struct_ref_seq_dif.pdbx_seq_db_accession_code
5 Cif _struct_ref_seq_dif.db_mon_id
5 Cif _struct_ref_seq_dif.pdbx_seq_db_seq_num
5 Cif _struct_ref_seq_dif.details
5 Cif _struct_ref_seq_dif.pdbx_auth_seq_num
5 Cif _struct_ref_seq_dif.pdbx_ordinal
 
6 Cif _chem_comp LoopLength = 24
6 Cif _chem_comp ListOfLines
6 Cif _chem_comp.id
6 Cif _chem_comp.type
6 Cif _chem_comp.mon_nstd_flag
6 Cif _chem_comp.name
6 Cif _chem_comp.pdbx_synonyms
6 Cif _chem_comp.formula
6 Cif _chem_comp.formula_weight
 
7 Cif _reflns_shell LoopLength = 10
7 Cif _reflns_shell ListOfLines
7 Cif _reflns_shell.pdbx_diffrn_id
7 Cif _reflns_shell.pdbx_ordinal
7 Cif _reflns_shell.d_res_high
7 Cif _reflns_shell.d_res_low
7 Cif _reflns_shell.percent_possible_all
7 Cif _reflns_shell.Rmerge_I_obs
7 Cif _reflns_shell.pdbx_Rsym_value
7 Cif _reflns_shell.meanI_over_sigI_obs
7 Cif _reflns_shell.pdbx_redundancy
7 Cif _reflns_shell.percent_possible_obs
7 Cif _reflns_shell.number_unique_all
7 Cif _reflns_shell.number_measured_all
7 Cif _reflns_shell.number_measured_obs
7 Cif _reflns_shell.number_unique_obs
7 Cif _reflns_shell.pdbx_chi_squared
 
8 Cif _refine_ls_restr LoopLength = 38
8 Cif _refine_ls_restr ListOfLines
8 Cif _refine_ls_restr.type
8 Cif _refine_ls_restr.dev_ideal
8 Cif _refine_ls_restr.dev_ideal_target
8 Cif _refine_ls_restr.weight
8 Cif _refine_ls_restr.number
8 Cif _refine_ls_restr.pdbx_refine_id
8 Cif _refine_ls_restr.pdbx_restraint_function
 
9 Cif _struct_asym LoopLength = 10
9 Cif _struct_asym ListOfLines
9 Cif _struct_asym.id
9 Cif _struct_asym.pdbx_blank_PDB_chainid_flag
9 Cif _struct_asym.pdbx_modified
9 Cif _struct_asym.entity_id
9 Cif _struct_asym.details
 
10 Cif _struct_conf LoopLength = 10
10 Cif _struct_conf ListOfLines
10 Cif _struct_conf.conf_type_id
10 Cif _struct_conf.id
10 Cif _struct_conf.pdbx_PDB_helix_id
10 Cif _struct_conf.beg_label_comp_id
10 Cif _struct_conf.beg_label_asym_id
10 Cif _struct_conf.beg_label_seq_id
10 Cif _struct_conf.pdbx_beg_PDB_ins_code
10 Cif _struct_conf.end_label_comp_id
10 Cif _struct_conf.end_label_asym_id
10 Cif _struct_conf.end_label_seq_id
10 Cif _struct_conf.pdbx_end_PDB_ins_code
10 Cif _struct_conf.beg_auth_comp_id
10 Cif _struct_conf.beg_auth_asym_id
10 Cif _struct_conf.beg_auth_seq_id
10 Cif _struct_conf.end_auth_comp_id
10 Cif _struct_conf.end_auth_asym_id
10 Cif _struct_conf.end_auth_seq_id
10 Cif _struct_conf.pdbx_PDB_helix_class
10 Cif _struct_conf.details
10 Cif _struct_conf.pdbx_PDB_helix_length
 
11 Cif _struct_mon_prot_cis LoopLength = 2
11 Cif _struct_mon_prot_cis ListOfLines
11 Cif _struct_mon_prot_cis.pdbx_id
11 Cif _struct_mon_prot_cis.label_comp_id
11 Cif _struct_mon_prot_cis.label_seq_id
11 Cif _struct_mon_prot_cis.label_asym_id
11 Cif _struct_mon_prot_cis.label_alt_id
11 Cif _struct_mon_prot_cis.pdbx_PDB_ins_code
11 Cif _struct_mon_prot_cis.auth_comp_id
11 Cif _struct_mon_prot_cis.auth_seq_id
11 Cif _struct_mon_prot_cis.auth_asym_id
11 Cif _struct_mon_prot_cis.pdbx_label_comp_id_2
11 Cif _struct_mon_prot_cis.pdbx_label_seq_id_2
11 Cif _struct_mon_prot_cis.pdbx_label_asym_id_2
11 Cif _struct_mon_prot_cis.pdbx_PDB_ins_code_2
11 Cif _struct_mon_prot_cis.pdbx_auth_comp_id_2
11 Cif _struct_mon_prot_cis.pdbx_auth_seq_id_2
11 Cif _struct_mon_prot_cis.pdbx_auth_asym_id_2
11 Cif _struct_mon_prot_cis.pdbx_PDB_model_num
11 Cif _struct_mon_prot_cis.pdbx_omega_angle
 
12 Cif _struct_sheet LoopLength = 3
12 Cif _struct_sheet ListOfLines
12 Cif _struct_sheet.id
12 Cif _struct_sheet.type
12 Cif _struct_sheet.number_strands
12 Cif _struct_sheet.details
 
13 Cif _struct_sheet_order LoopLength = 8
13 Cif _struct_sheet_order ListOfLines
13 Cif _struct_sheet_order.sheet_id
13 Cif _struct_sheet_order.range_id_1
13 Cif _struct_sheet_order.range_id_2
13 Cif _struct_sheet_order.offset
13 Cif _struct_sheet_order.sense
 
14 Cif _struct_sheet_range LoopLength = 11
14 Cif _struct_sheet_range ListOfLines
14 Cif _struct_sheet_range.sheet_id
14 Cif _struct_sheet_range.id
14 Cif _struct_sheet_range.beg_label_comp_id
14 Cif _struct_sheet_range.beg_label_asym_id
14 Cif _struct_sheet_range.beg_label_seq_id
14 Cif _struct_sheet_range.pdbx_beg_PDB_ins_code
14 Cif _struct_sheet_range.end_label_comp_id
14 Cif _struct_sheet_range.end_label_asym_id
14 Cif _struct_sheet_range.end_label_seq_id
14 Cif _struct_sheet_range.pdbx_end_PDB_ins_code
14 Cif _struct_sheet_range.beg_auth_comp_id
14 Cif _struct_sheet_range.beg_auth_asym_id
14 Cif _struct_sheet_range.beg_auth_seq_id
14 Cif _struct_sheet_range.end_auth_comp_id
14 Cif _struct_sheet_range.end_auth_asym_id
14 Cif _struct_sheet_range.end_auth_seq_id
 
15 Cif _pdbx_struct_sheet_hbond LoopLength = 8
15 Cif _pdbx_struct_sheet_hbond ListOfLines
15 Cif _pdbx_struct_sheet_hbond.sheet_id
15 Cif _pdbx_struct_sheet_hbond.range_id_1
15 Cif _pdbx_struct_sheet_hbond.range_id_2
15 Cif _pdbx_struct_sheet_hbond.range_1_label_atom_id
15 Cif _pdbx_struct_sheet_hbond.range_1_label_comp_id
15 Cif _pdbx_struct_sheet_hbond.range_1_label_asym_id
15 Cif _pdbx_struct_sheet_hbond.range_1_label_seq_id
15 Cif _pdbx_struct_sheet_hbond.range_1_PDB_ins_code
15 Cif _pdbx_struct_sheet_hbond.range_1_auth_atom_id
15 Cif _pdbx_struct_sheet_hbond.range_1_auth_comp_id
15 Cif _pdbx_struct_sheet_hbond.range_1_auth_asym_id
15 Cif _pdbx_struct_sheet_hbond.range_1_auth_seq_id
15 Cif _pdbx_struct_sheet_hbond.range_2_label_atom_id
15 Cif _pdbx_struct_sheet_hbond.range_2_label_comp_id
15 Cif _pdbx_struct_sheet_hbond.range_2_label_asym_id
15 Cif _pdbx_struct_sheet_hbond.range_2_label_seq_id
15 Cif _pdbx_struct_sheet_hbond.range_2_PDB_ins_code
15 Cif _pdbx_struct_sheet_hbond.range_2_auth_atom_id
15 Cif _pdbx_struct_sheet_hbond.range_2_auth_comp_id
15 Cif _pdbx_struct_sheet_hbond.range_2_auth_asym_id
15 Cif _pdbx_struct_sheet_hbond.range_2_auth_seq_id
 
16 Cif _struct_site LoopLength = 8
16 Cif _struct_site ListOfLines
16 Cif _struct_site.id
16 Cif _struct_site.pdbx_evidence_code
16 Cif _struct_site.pdbx_auth_asym_id
16 Cif _struct_site.pdbx_auth_comp_id
16 Cif _struct_site.pdbx_auth_seq_id
16 Cif _struct_site.pdbx_auth_ins_code
16 Cif _struct_site.pdbx_num_residues
16 Cif _struct_site.details
 
17 Cif _struct_site_gen LoopLength = 65
17 Cif _struct_site_gen ListOfLines
17 Cif _struct_site_gen.id
17 Cif _struct_site_gen.site_id
17 Cif _struct_site_gen.pdbx_num_res
17 Cif _struct_site_gen.label_comp_id
17 Cif _struct_site_gen.label_asym_id
17 Cif _struct_site_gen.label_seq_id
17 Cif _struct_site_gen.pdbx_auth_ins_code
17 Cif _struct_site_gen.auth_comp_id
17 Cif _struct_site_gen.auth_asym_id
17 Cif _struct_site_gen.auth_seq_id
17 Cif _struct_site_gen.label_atom_id
17 Cif _struct_site_gen.label_alt_id
17 Cif _struct_site_gen.symmetry
17 Cif _struct_site_gen.details
 
18 Cif _atom_type LoopLength = 5
18 Cif _atom_type ListOfLines
18 Cif _atom_type.symbol
 
19 Cif _atom_site LoopLength = 2394
19 Cif _atom_site ListOfLines
19 Cif _atom_site.group_PDB
19 Cif _atom_site.id
19 Cif _atom_site.type_symbol
19 Cif _atom_site.label_atom_id
19 Cif _atom_site.label_alt_id
19 Cif _atom_site.label_comp_id
19 Cif _atom_site.label_asym_id
19 Cif _atom_site.label_entity_id
19 Cif _atom_site.label_seq_id
19 Cif _atom_site.pdbx_PDB_ins_code
19 Cif _atom_site.Cartn_x
19 Cif _atom_site.Cartn_y
19 Cif _atom_site.Cartn_z
19 Cif _atom_site.occupancy
19 Cif _atom_site.B_iso_or_equiv
19 Cif _atom_site.pdbx_formal_charge
19 Cif _atom_site.auth_seq_id
19 Cif _atom_site.auth_comp_id
19 Cif _atom_site.auth_asym_id
19 Cif _atom_site.auth_atom_id
19 Cif _atom_site.pdbx_PDB_model_num
 
20 Cif _pdbx_poly_seq_scheme LoopLength = 267
20 Cif _pdbx_poly_seq_scheme ListOfLines
20 Cif _pdbx_poly_seq_scheme.asym_id
20 Cif _pdbx_poly_seq_scheme.entity_id
20 Cif _pdbx_poly_seq_scheme.seq_id
20 Cif _pdbx_poly_seq_scheme.mon_id
20 Cif _pdbx_poly_seq_scheme.ndb_seq_num
20 Cif _pdbx_poly_seq_scheme.pdb_seq_num
20 Cif _pdbx_poly_seq_scheme.auth_seq_num
20 Cif _pdbx_poly_seq_scheme.pdb_mon_id
20 Cif _pdbx_poly_seq_scheme.auth_mon_id
20 Cif _pdbx_poly_seq_scheme.pdb_strand_id
20 Cif _pdbx_poly_seq_scheme.pdb_ins_code
20 Cif _pdbx_poly_seq_scheme.hetero
 
21 Cif _pdbx_audit_revision_history LoopLength = 3
21 Cif _pdbx_audit_revision_history ListOfLines
21 Cif _pdbx_audit_revision_history.ordinal
21 Cif _pdbx_audit_revision_history.data_content_type
21 Cif _pdbx_audit_revision_history.major_revision
21 Cif _pdbx_audit_revision_history.minor_revision
21 Cif _pdbx_audit_revision_history.revision_date
 
22 Cif _pdbx_audit_revision_group LoopLength = 2
22 Cif _pdbx_audit_revision_group ListOfLines
22 Cif _pdbx_audit_revision_group.ordinal
22 Cif _pdbx_audit_revision_group.revision_ordinal
22 Cif _pdbx_audit_revision_group.data_content_type
22 Cif _pdbx_audit_revision_group.group
 
23 Cif _software LoopLength = 5
23 Cif _software ListOfLines
23 Cif _software.name
23 Cif _software.classification
23 Cif _software.version
23 Cif _software.citation_id
23 Cif _software.pdbx_ordinal
 
24 Cif _pdbx_validate_torsion LoopLength = 6
24 Cif _pdbx_validate_torsion ListOfLines
24 Cif _pdbx_validate_torsion.id
24 Cif _pdbx_validate_torsion.PDB_model_num
24 Cif _pdbx_validate_torsion.auth_comp_id
24 Cif _pdbx_validate_torsion.auth_asym_id
24 Cif _pdbx_validate_torsion.auth_seq_id
24 Cif _pdbx_validate_torsion.PDB_ins_code
24 Cif _pdbx_validate_torsion.label_alt_id
24 Cif _pdbx_validate_torsion.phi
24 Cif _pdbx_validate_torsion.psi
 
25 Cif _pdbx_entity_nonpoly LoopLength = 4
25 Cif _pdbx_entity_nonpoly ListOfLines
25 Cif _pdbx_entity_nonpoly.entity_id
25 Cif _pdbx_entity_nonpoly.name
25 Cif _pdbx_entity_nonpoly.comp_id
 
26 Cif _pdbx_nonpoly_scheme LoopLength = 114
26 Cif _pdbx_nonpoly_scheme ListOfLines
26 Cif _pdbx_nonpoly_scheme.asym_id
26 Cif _pdbx_nonpoly_scheme.entity_id
26 Cif _pdbx_nonpoly_scheme.mon_id
26 Cif _pdbx_nonpoly_scheme.ndb_seq_num
26 Cif _pdbx_nonpoly_scheme.pdb_seq_num
26 Cif _pdbx_nonpoly_scheme.auth_seq_num
26 Cif _pdbx_nonpoly_scheme.pdb_mon_id
26 Cif _pdbx_nonpoly_scheme.auth_mon_id
26 Cif _pdbx_nonpoly_scheme.pdb_strand_id
26 Cif _pdbx_nonpoly_scheme.pdb_ins_code




store/synthetases/4Q6G.cif  Crystal Structure of the C-terminal domain of AcKRS-1 bound with N-acetyl-lysine and ADPNP

About organisms
entity	1	gene_src_taxid	192952	gene_src_Name	Methanosarcina mazei	pdbx_org_TaxId	562	pdbx_org_Name	Escherichia coli
entity	1	gene_host_taxid	562	gene_host_Name	Escherichia coli	pdbx_org_TaxId	562	pdbx_org_Name	Escherichia coli

LabAsym	AutAsym	Entity
A	A	1 polymer man Pyrrolysine--tRNA
B	A	2 non-polymer syn PHOSPHOAMINOPHOSPHONIC
C	A	3 non-polymer syn 1,2-ETHANEDIOL
D	A	3 non-polymer syn 1,2-ETHANEDIOL
E	A	3 non-polymer syn 1,2-ETHANEDIOL
F	A	3 non-polymer syn 1,2-ETHANEDIOL
G	A	3 non-polymer syn 1,2-ETHANEDIOL
H	A	3 non-polymer syn 1,2-ETHANEDIOL
I	A	4 non-polymer syn N(6)-ACETYLLYSINE
J	A	5 water nat water

ValuesOf SimpleKeys
_entry.id                                            4Q6G
_audit_conform.dict_name                             mmcif_pdbx.dic
_audit_conform.dict_version                          5.281
_audit_conform.dict_location                         http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
_pdbx_database_status.status_code                    REL
_pdbx_database_status.entry_id                       4Q6G
_pdbx_database_status.recvd_initial_deposition_date  2014-04-22
_pdbx_database_status.deposit_site                   RCSB
_pdbx_database_status.process_site                   RCSB
_pdbx_database_status.status_code_sf                 REL
_pdbx_database_status.status_code_mr                 ?
_pdbx_database_status.SG_entry                       ?
_pdbx_database_status.status_code_cs                 ?
_pdbx_database_status.methods_development_category   ?
_pdbx_database_status.pdb_format_compatible          Y
_citation.id                                         primary
_citation.title                                      Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
_citation.journal_abbrev                             Proc.Natl.Acad.Sci.USA
_citation.journal_volume                             111
_citation.page_first                                 16724
_citation.page_last                                  16729
_citation.year                                       2014
_citation.journal_id_ASTM                            PNASA6
_citation.country                                    US
_citation.journal_id_ISSN                            0027-8424
_citation.journal_id_CSD                             0040
_citation.book_publisher                             ?
_citation.pdbx_database_id_PubMed                    25385624
_citation.pdbx_database_id_DOI                       10.1073/pnas.1419737111
_cell.entry_id                                       4Q6G
_cell.length_a                                       105.031
_cell.length_b                                       105.031
_cell.length_c                                       70.731
_cell.angle_alpha                                    90.00
_cell.angle_beta                                     90.00
_cell.angle_gamma                                    120.00
_cell.Z_PDB                                          6
_cell.pdbx_unique_axis                               ?
_cell.length_a_esd                                   ?
_cell.length_b_esd                                   ?
_cell.length_c_esd                                   ?
_cell.angle_alpha_esd                                ?
_cell.angle_beta_esd                                 ?
_cell.angle_gamma_esd                                ?
_symmetry.entry_id                                   4Q6G
_symmetry.space_group_name_H-M                       P 64
_symmetry.pdbx_full_space_group_name_H-M             ?
_symmetry.cell_setting                               ?
_symmetry.Int_Tables_number                          172
_symmetry.space_group_name_Hall                      ?
_entity_name_com.entity_id                           1
_entity_name_com.name                                AcKRS-1, Pyrrolysine--tRNA(Pyl) ligase, Pyrrolysyl-tRNA synthetase, PylRS
_entity_poly.entity_id                               1
_entity_poly.type                                    polypeptide(L)
_entity_poly.nstd_linkage                            no
_entity_poly.nstd_monomer                            no
_entity_poly.pdbx_seq_one_letter_code                PALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEERENYLGKLEREITRFFVDRGFLEIKSPIL
IPLEYIERMGIDNDTELSKQIFRVDKNFCLRPMVAPNIFNYARKLDRALPDPIKIFEIGPCYRKESDGKEHLEEFTMLNF
FQMGSGCTRENLESIITDFLNHLGIDFKIVGDSCSVYGDTLDVMHGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERL
LKVKHDFKNIKRAARSESYYNGISTNL
_entity_poly.pdbx_seq_one_letter_code_can            PALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEERENYLGKLEREITRFFVDRGFLEIKSPIL
IPLEYIERMGIDNDTELSKQIFRVDKNFCLRPMVAPNIFNYARKLDRALPDPIKIFEIGPCYRKESDGKEHLEEFTMLNF
FQMGSGCTRENLESIITDFLNHLGIDFKIVGDSCSVYGDTLDVMHGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERL
LKVKHDFKNIKRAARSESYYNGISTNL
_entity_poly.pdbx_strand_id                          A
_entity_poly.pdbx_target_identifier                  ?
_entity_src_gen.entity_id                            1
_entity_src_gen.pdbx_src_id                          1
_entity_src_gen.pdbx_alt_source_flag                 sample
_entity_src_gen.pdbx_seq_type                        ?
_entity_src_gen.pdbx_beg_seq_num                     ?
_entity_src_gen.pdbx_end_seq_num                     ?
_entity_src_gen.gene_src_common_name                 ?
_entity_src_gen.gene_src_genus                       ?
_entity_src_gen.pdbx_gene_src_gene                   pylS, MM_1445
_entity_src_gen.gene_src_species                     ?
_entity_src_gen.gene_src_strain                      ATCC BAA-159 / DSM 3647 / Goe1 / Go1 / JCM 11833 / OCM 88
_entity_src_gen.gene_src_tissue                      ?
_entity_src_gen.gene_src_tissue_fraction             ?
_entity_src_gen.gene_src_details                     ?
_entity_src_gen.pdbx_gene_src_fragment               ?
_entity_src_gen.pdbx_gene_src_scientific_name        Methanosarcina mazei
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id       192952
_entity_src_gen.pdbx_gene_src_variant                ?
_entity_src_gen.pdbx_gene_src_cell_line              ?
_entity_src_gen.pdbx_gene_src_atcc                   ?
_entity_src_gen.pdbx_gene_src_organ                  ?
_entity_src_gen.pdbx_gene_src_organelle              ?
_entity_src_gen.pdbx_gene_src_cell                   ?
_entity_src_gen.pdbx_gene_src_cellular_location      ?
_entity_src_gen.host_org_common_name                 ?
_entity_src_gen.pdbx_host_org_scientific_name        Escherichia coli
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id       562
_entity_src_gen.host_org_genus                       ?
_entity_src_gen.pdbx_host_org_gene                   ?
_entity_src_gen.pdbx_host_org_organ                  ?
_entity_src_gen.host_org_species                     ?
_entity_src_gen.pdbx_host_org_tissue                 ?
_entity_src_gen.pdbx_host_org_tissue_fraction        ?
_entity_src_gen.pdbx_host_org_strain                 ?
_entity_src_gen.pdbx_host_org_variant                ?
_entity_src_gen.pdbx_host_org_cell_line              ?
_entity_src_gen.pdbx_host_org_atcc                   ?
_entity_src_gen.pdbx_host_org_culture_collection     ?
_entity_src_gen.pdbx_host_org_cell                   ?
_entity_src_gen.pdbx_host_org_organelle              ?
_entity_src_gen.pdbx_host_org_cellular_location      ?
_entity_src_gen.pdbx_host_org_vector_type            ?
_entity_src_gen.pdbx_host_org_vector                 ?
_entity_src_gen.host_org_details                     ?
_entity_src_gen.expression_system_id                 ?
_entity_src_gen.plasmid_name                         ?
_entity_src_gen.plasmid_details                      ?
_entity_src_gen.pdbx_description                     ?
_struct_ref.id                                       1
_struct_ref.db_name                                  UNP
_struct_ref.db_code                                  PYLS_METMA
_struct_ref.pdbx_db_accession                        Q8PWY1
_struct_ref.entity_id                                1
_struct_ref.pdbx_seq_one_letter_code                 PALTKSQTDRLEVLLNPKDEISLNSGKPFRELESELLSRRKKDLQQIYAEERENYLGKLEREITRFFVDRGFLEIKSPIL
IPLEYIERMGIDNDTELSKQIFRVDKNFCLRPMLAPNLYNYLRKLDRALPDPIKIFEIGPCYRKESDGKEHLEEFTMLNF
CQMGSGCTRENLESIITDFLNHLGIDFKIVGDSCMVYGDTLDVMHGDLELSSAVVGPIPLDREWGIDKPWIGAGFGLERL
LKVKHDFKNIKRAARSESYYNGISTNL
_struct_ref.pdbx_align_begin                         188
_struct_ref.pdbx_db_isoform                          ?
_struct_ref_seq.align_id                             1
_struct_ref_seq.ref_id                               1
_struct_ref_seq.pdbx_PDB_id_code                     4Q6G
_struct_ref_seq.pdbx_strand_id                       A
_struct_ref_seq.seq_align_beg                        1
_struct_ref_seq.pdbx_seq_align_beg_ins_code          ?
_struct_ref_seq.seq_align_end                        267
_struct_ref_seq.pdbx_seq_align_end_ins_code          ?
_struct_ref_seq.pdbx_db_accession                    Q8PWY1
_struct_ref_seq.db_align_beg                         188
_struct_ref_seq.pdbx_db_align_beg_ins_code           ?
_struct_ref_seq.db_align_end                         454
_struct_ref_seq.pdbx_db_align_end_ins_code           ?
_struct_ref_seq.pdbx_auth_seq_align_beg              188
_struct_ref_seq.pdbx_auth_seq_align_end              454
_exptl.entry_id                                      4Q6G
_exptl.method                                        X-RAY DIFFRACTION
_exptl.crystals_number                               1
_exptl_crystal.id                                    1
_exptl_crystal.density_meas                          ?
_exptl_crystal.density_Matthews                      3.66
_exptl_crystal.density_percent_sol                   66.35
_exptl_crystal.description                           ?
_exptl_crystal.F_000                                 ?
_exptl_crystal.preparation                           ?
_exptl_crystal_grow.crystal_id                       1
_exptl_crystal_grow.method                           VAPOR DIFFUSION, SITTING DROP
_exptl_crystal_grow.temp                             293
_exptl_crystal_grow.temp_details                     ?
_exptl_crystal_grow.pH                               8.0
_exptl_crystal_grow.pdbx_pH_range                    ?
_exptl_crystal_grow.pdbx_details                     50 mM Tris, pH 8.0, 23% PEG2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 293K
_diffrn.id                                           1
_diffrn.ambient_temp                                 100
_diffrn.ambient_temp_details                         ?
_diffrn.crystal_id                                   1
_diffrn_detector.diffrn_id                           1
_diffrn_detector.detector                            CCD
_diffrn_detector.type                                ADSC QUANTUM 315r
_diffrn_detector.pdbx_collection_date                2008-11-23
_diffrn_detector.details                             ?
_diffrn_radiation.diffrn_id                          1
_diffrn_radiation.wavelength_id                      1
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l     M
_diffrn_radiation.monochromator                      Rosenbaum-Rock double crystal Si(111)
_diffrn_radiation.pdbx_diffrn_protocol               SINGLE WAVELENGTH
_diffrn_radiation.pdbx_scattering_type               x-ray
_diffrn_radiation_wavelength.id                      1
_diffrn_radiation_wavelength.wavelength              1.0809
_diffrn_radiation_wavelength.wt                      1.0
_diffrn_source.diffrn_id                             1
_diffrn_source.source                                SYNCHROTRON
_diffrn_source.type                                  NSLS BEAMLINE X29A
_diffrn_source.pdbx_synchrotron_site                 NSLS
_diffrn_source.pdbx_synchrotron_beamline             X29A
_diffrn_source.pdbx_wavelength                       ?
_diffrn_source.pdbx_wavelength_list                  1.0809
_reflns.pdbx_diffrn_id                               1
_reflns.pdbx_ordinal                                 1
_reflns.entry_id                                     4Q6G
_reflns.observed_criterion_sigma_I                   2.6
_reflns.observed_criterion_sigma_F                   2.6
_reflns.d_resolution_low                             90.909
_reflns.d_resolution_high                            2.248
_reflns.number_obs                                   21010
_reflns.number_all                                   21278
_reflns.percent_possible_obs                         98.7
_reflns.pdbx_Rmerge_I_obs                            ?
_reflns.pdbx_Rsym_value                              0.048
_reflns.pdbx_netI_over_sigmaI                        41.2
_reflns.B_iso_Wilson_estimate                        ?
_reflns.pdbx_redundancy                              7.5
_reflns.R_free_details                               ?
_reflns.limit_h_max                                  ?
_reflns.limit_h_min                                  ?
_reflns.limit_k_max                                  ?
_reflns.limit_k_min                                  ?
_reflns.limit_l_max                                  ?
_reflns.limit_l_min                                  ?
_reflns.observed_criterion_F_max                     ?
_reflns.observed_criterion_F_min                     ?
_reflns.pdbx_chi_squared                             ?
_reflns.pdbx_scaling_rejects                         ?
_refine.pdbx_refine_id                               X-RAY DIFFRACTION
_refine.entry_id                                     4Q6G
_refine.pdbx_diffrn_id                               1
_refine.pdbx_TLS_residual_ADP_flag                   ?
_refine.ls_number_reflns_obs                         19912
_refine.ls_number_reflns_all                         21010
_refine.pdbx_ls_sigma_I                              ?
_refine.pdbx_ls_sigma_F                              .
_refine.pdbx_data_cutoff_high_absF                   ?
_refine.pdbx_data_cutoff_low_absF                    ?
_refine.pdbx_data_cutoff_high_rms_absF               ?
_refine.ls_d_res_low                                 90.909
_refine.ls_d_res_high                                2.25
_refine.ls_percent_reflns_obs                        98.66
_refine.ls_R_factor_obs                              0.18737
_refine.ls_R_factor_all                              ?
_refine.ls_R_factor_R_work                           0.18593
_refine.ls_R_factor_R_free                           0.21443
_refine.ls_R_factor_R_free_error                     ?
_refine.ls_R_factor_R_free_error_details             ?
_refine.ls_percent_reflns_R_free                     5.1
_refine.ls_number_reflns_R_free                      1079
_refine.ls_number_parameters                         ?
_refine.ls_number_restraints                         ?
_refine.occupancy_min                                ?
_refine.occupancy_max                                ?
_refine.correlation_coeff_Fo_to_Fc                   0.962
_refine.correlation_coeff_Fo_to_Fc_free              0.952
_refine.B_iso_mean                                   60.752
_refine.solvent_model_details                        MASK
_refine.solvent_model_param_ksol                     ?
_refine.solvent_model_param_bsol                     ?
_refine.pdbx_solvent_vdw_probe_radii                 1.20
_refine.pdbx_solvent_ion_probe_radii                 0.80
_refine.pdbx_solvent_shrinkage_radii                 0.80
_refine.pdbx_ls_cross_valid_method                   THROUGHOUT
_refine.details                                      HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
_refine.pdbx_starting_model                          PDB ENTRY 2Q7G
_refine.pdbx_method_to_determine_struct              MOLECULAR REPLACEMENT
_refine.pdbx_isotropic_thermal_model                 ?
_refine.pdbx_stereochemistry_target_values           MAXIMUM LIKELIHOOD
_refine.pdbx_stereochem_target_val_spec_case         ?
_refine.pdbx_R_Free_selection_details                RANDOM
_refine.pdbx_overall_ESU_R                           0.206
_refine.pdbx_overall_ESU_R_Free                      0.171
_refine.overall_SU_ML                                0.117
_refine.pdbx_overall_phase_error                     ?
_refine.overall_SU_B                                 4.679
_refine.overall_SU_R_Cruickshank_DPI                 ?
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI       ?
_refine.pdbx_overall_SU_R_Blow_DPI                   ?
_refine.pdbx_overall_SU_R_free_Blow_DPI              ?
_refine.ls_redundancy_reflns_obs                     ?
_refine.B_iso_min                                    ?
_refine.B_iso_max                                    ?
_refine.overall_SU_R_free                            ?
_refine.ls_wR_factor_R_free                          ?
_refine.ls_wR_factor_R_work                          ?
_refine.overall_FOM_free_R_set                       ?
_refine.overall_FOM_work_R_set                       ?
_refine_hist.pdbx_refine_id                          X-RAY DIFFRACTION
_refine_hist.cycle_id                                LAST
_refine_hist.pdbx_number_atoms_protein               2167
_refine_hist.pdbx_number_atoms_nucleic_acid          0
_refine_hist.pdbx_number_atoms_ligand                68
_refine_hist.number_atoms_solvent                    106
_refine_hist.number_atoms_total                      2341
_refine_hist.d_res_high                              2.25
_refine_hist.d_res_low                               90.909
_refine_ls_shell.pdbx_refine_id                      X-RAY DIFFRACTION
_refine_ls_shell.pdbx_total_number_of_bins_used      20
_refine_ls_shell.d_res_high                          2.248
_refine_ls_shell.d_res_low                           2.307
_refine_ls_shell.number_reflns_R_work                1320
_refine_ls_shell.R_factor_R_work                     0.260
_refine_ls_shell.percent_reflns_obs                  88.39
_refine_ls_shell.R_factor_R_free                     0.297
_refine_ls_shell.R_factor_R_free_error               ?
_refine_ls_shell.percent_reflns_R_free               ?
_refine_ls_shell.number_reflns_R_free                73
_refine_ls_shell.number_reflns_all                   ?
_refine_ls_shell.R_factor_all                        ?
_refine_ls_shell.redundancy_reflns_obs               ?
_refine_ls_shell.number_reflns_obs                   ?
_pdbx_refine.pdbx_refine_id                          X-RAY DIFFRACTION
_pdbx_refine.entry_id                                4Q6G
_pdbx_refine.R_factor_all_no_cutoff                  ?
_pdbx_refine.R_factor_obs_no_cutoff                  ?
_pdbx_refine.free_R_factor_no_cutoff                 ?
_pdbx_refine.free_R_error_no_cutoff                  ?
_pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ?
_pdbx_refine.free_R_val_test_set_ct_no_cutoff        ?
_pdbx_refine.R_factor_all_4sig_cutoff                ?
_pdbx_refine.R_factor_obs_4sig_cutoff                ?
_pdbx_refine.free_R_factor_4sig_cutoff               ?
_pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ?
_pdbx_refine.free_R_val_test_set_ct_4sig_cutoff      ?
_pdbx_refine.number_reflns_obs_4sig_cutoff           ?
_struct.entry_id                                     4Q6G
_struct.title                                        Crystal Structure of the C-terminal domain of AcKRS-1 bound with N-acetyl-lysine and ADPNP
_struct.pdbx_descriptor                              Pyrrolysine--tRNA ligase (E.C.6.1.1.26)
_struct.pdbx_model_details                           ?
_struct.pdbx_CASP_flag                               ?
_struct.pdbx_model_type_details                      ?
_struct_keywords.entry_id                            4Q6G
_struct_keywords.pdbx_keywords                       LIGASE
_struct_keywords.text                                tRNA synthetase, tRNA, amino acids, LIGASE
_struct_biol.id                                      1
_struct_biol.details                                 ?
_struct_conf_type.id                                 HELX_P
_struct_conf_type.criteria                           ?
_struct_conf_type.reference                          ?
_database_PDB_matrix.entry_id                        4Q6G
_atom_sites.entry_id                                 4Q6G
_pdbx_struct_assembly.id                             1
_pdbx_struct_assembly.details                        author_defined_assembly
_pdbx_struct_assembly.method_details                 ?
_pdbx_struct_assembly.oligomeric_details             monomeric
_pdbx_struct_assembly.oligomeric_count               1
_pdbx_struct_assembly_gen.assembly_id                1
_pdbx_struct_assembly_gen.oper_expression            1
_pdbx_struct_assembly_gen.asym_id_list               A,B,C,D,E,F,G,H,I,J
_pdbx_struct_oper_list.id                            1
_pdbx_struct_oper_list.type                          identity operation
_pdbx_struct_oper_list.name                          1_555
_pdbx_struct_oper_list.symmetry_operation            x,y,z
_pdbx_audit_revision_details.ordinal                 1
_pdbx_audit_revision_details.revision_ordinal        1
_pdbx_audit_revision_details.data_content_type       Structure model
_pdbx_audit_revision_details.provider                repository
_pdbx_audit_revision_details.type                    Initial release
_pdbx_audit_revision_details.description             ?
_pdbx_entry_details.entry_id                         4Q6G
_pdbx_entry_details.nonpolymer_details               BIOCHEMICAL EVIDENCE SUGGESTS THAT THE ACETYL END OF LIGAND D ALY 2005 MAY NOT BE AS WELL-ORDERED AS THE REST OF THE LIGAND.
_pdbx_entry_details.sequence_details                 ?
_pdbx_entry_details.compound_details                 ?
_pdbx_entry_details.source_details                   ?
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