Data quality metrics extracted from 6vw8.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 6VW8 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
APS BEAMLINE 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
193
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2019-07-03
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.7388
Software
Data reduction #1
_software.classification
DIALS
Data reduction #2
_software.classification
HKL-3000
Data reduction #3
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.7.4)
Phasing
_software.classification
CRANK2
Refinement
_software.classification
PHENIX (1.16_3549)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
132.656 127.050 99.840 90.0 123.5 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979101.73880 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.534 48.530 2.360
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 10.290 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.129 0.066 0.462
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.141 0.072 0.514
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.056 0.029 0.223
Total number of observations 
_reflns_shell.number_measured_all
 - 4225 23427
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 61209 710 4497
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 8.90 17.70 3.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.0 99.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.1 6.0 5.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.985 0.994 0.915

Refinement
PDB entry ID
_entry.id
6VW8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-02-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.5 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1817 / 0.2231
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD