Data quality metrics extracted from 6koj.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 6KOJ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SSRF BEAMLINE BL17U
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL17U
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2014-09-08
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless (0.5.32)
Phasing
_software.classification
MOLREP
Refinement
_software.classification
REFMAC (5.8.0253)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
31.86 45.27 50.48 110.19 106.04 90.07
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97910 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.270 45.270 2.210
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.140 9.090 2.140
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.098 0.102 0.234
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.118 0.125 0.279
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.064 0.071 0.150
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 40277 498 3411
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12451 164 1039
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.10 12.10 4.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 89.6 89.1 91.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 3.0 3.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.981 0.954 0.934

Refinement
PDB entry ID
_entry.id
6KOJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-08-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.3 - 2.140 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2011 / 0.2709
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4IKB