Data quality metrics extracted from 6pgv.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 6PGV at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
NSLS BEAMLINE X6A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X6A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-03-23
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.900, 0.9787, 0.9792, 0.9700, 1.0053, 1.0089
Software
Data reduction
_software.classification
XDS (Jan 26, 2018)
Data scaling
_software.classification
XSCALE (Jan 26, 2018)
Phasing
_software.classification
PHENIX (1.14_3260)
Refinement
_software.classification
PHENIX (1.14_3260: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
102.12 102.12 92.20 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.900000.978700.979200.970001.005301.00890 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 2.380
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.058 0.990
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.058 1.000
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.007 0.145
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 12866 1237
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 81.60 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 97.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 77.0 46.2
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.949

Refinement
PDB entry ID
_entry.id
6PGV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2019-06-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.8 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2240
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD