Data quality metrics extracted from 1vpq.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 1VPQ 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
APS BEAMLINE 19-BM
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-BM
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-11-15
Detector
_diffrn_detector.type
APS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.98036, 0.98014, 0.96427
Software
Data reduction
_software.classification
MOSFLM
Data scaling #1
_software.classification
SCALA (4.2))
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
53.286 136.238 80.461 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.033170.980360.980140.96427 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.630 2.260
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
 0.095 0.400
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 13378 736
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.50 2.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 88.4 67.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 2.2
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1VPQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-11-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.6 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2060 / 0.2626
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD + MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given