Data quality metrics extracted from 6wfv.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 6WFV 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 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-09-15
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.7136
Software
Data reduction
_software.classification
XDS (21-Sep-2016)
Data scaling
_software.classification
XDS (21-Sep-2016)
Phasing #1
_software.classification
SHELXD
Phasing #2
_software.classification
SOLVE
Model building #1
_software.classification
RESOLVE
Model building #2
_software.classification
SHELXE
Model building #3
_software.classification
Coot
Refinement
_software.classification
PHENIX (1.17.1_3660)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
71.066 71.066 110.813 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.127101.115801.71360 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.180 41.180 1.740
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 7.590 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.117 0.039 1.640
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.120 0.040 1.730
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 7445 25451
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 36393 477 2553
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 19.67 50.99 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.7 99.2 96.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 17.5 15.6 10.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.717

Refinement
PDB entry ID
_entry.id
6WFV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-04-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.2 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1516 / 0.1722
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS