Data quality metrics extracted from 6vka.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 6VKA 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
AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Australian Synchrotron
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MX1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2016-06-10
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.13_2998: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
46.302 46.302 138.051 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.96000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.340 1.930
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.860 1.860
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.083 0.767
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.088 0.816
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.030 0.277
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 23848 2344
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 23.57 3.03
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.6 96.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.6 8.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.990 0.735

Refinement
PDB entry ID
_entry.id
6VKA
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2020-01-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.3 - 1.863 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1448 / 0.2122
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS