Data quality metrics extracted from 1vro.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 1VRO 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 5ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5ID-B
Temperature [K]
_diffrn.ambient_temp
120
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-01-22
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9561, 0.9787, 0.9784
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
CNS
Refinement #1
_software.classification
SHELXL-97
Refinement #2
_software.classification
CNS
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}
17.778 31.348 44.116 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.956100.978700.97840 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.140
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 1.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.041 0.075
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 9718 1802
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 22.70 15.85
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.7 95.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.5 7.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1VRO
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-04-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.0970 / 0.1290
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD