Data quality metrics extracted from 1qvc.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 1QVC 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
PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-6A
Temperature [K]
_diffrn.ambient_temp
281
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1996-11-07
Detector
_diffrn_detector.type
FUJI
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
X-PLOR
Model building
_software.classification
X-PLOR
Refinement
_software.classification
CNS
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}
105.369 62.923 97.792 90.00 112.57 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.945001.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 52.000 2.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.060 0.197
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 24956 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.80 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 82.7 43.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.0 2.3
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1QVC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1999-07-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2470 / 0.3170