Data quality metrics extracted from 7cwj.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 7CWJ 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
RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
RRCAT INDUS-2
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PX-BL21
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-10-13
Detector
_diffrn_detector.type
RAYONIX MX340-HS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9788
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.21)
Phasing #1
_software.classification
RESOLVE
Phasing #2
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.10.1-2155)
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}
45.658 67.478 170.050 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97880 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.100 44.100 1.630
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.600 8.770 1.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.042 0.416
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.070 0.044 0.451
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.019 0.013 0.169
Total number of observations 
_reflns.pdbx_number_measured_all
 818842 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 67496 523 2510
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 27.50 - 3.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.2 99.6 73.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 12.1 10.7 6.8
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.857

Refinement
PDB entry ID
_entry.id
7CWJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-08-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
24.0 - 1.610 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1507 / 0.1995
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD