Data quality metrics extracted from 6vbj.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 6VBJ 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2018-09-20
Detector
_diffrn_detector.type
RDI CMOS_8M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00003
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.2)
Phasing
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
74.43 85.42 95.39 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00003 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.370 48.370 1.840
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 9.000 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.103 0.048 2.320
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.108 0.051 2.742
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.031 0.014 1.424
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 513772 7004 3665
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 48831 547 1035
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 14.40 40.70 0.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 85.6 99.4 31.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 10.5 12.8 3.5
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.426

Refinement
PDB entry ID
_entry.id
6VBJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-12-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.7 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1911 / 0.2295
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2XZ7