Data quality metrics extracted from 4gqz.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 4GQZ 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
SPRING-8 BEAMLINE BL44B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL44B2
Temperature [K]
_diffrn.ambient_temp
77
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-06-30
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790, 0.9792, 0.9900
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine: 1.8_1069)
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}
58.456 102.160 114.238 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979000.979200.99000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.830
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.799 1.800
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 118693 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 19.7 81.1
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4GQZ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-08-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
40.9 - 1.799 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2279 / 0.2758
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD