Data quality metrics extracted from 2qvk.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 2QVK 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 8.2.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-02-10
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 0.9795, 0.98, 0.9718
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELXS
Refinement
_software.classification
REFMAC (5.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.336 76.491 22.538 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.979500.980000.97180 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 56.080 1.500
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.451 1.451
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.038 0.447
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 23794 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 26.40 2.85
Completeness [%] 
_reflns_shell.percent_possible_all
 - 99.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 99.9 5.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2QVK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-08-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
56.1 - 1.451 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1610 / 0.1916
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD