Data quality metrics extracted from 3cvr.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 3CVR 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 AR-NW12A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NW12A
Temperature [K]
_diffrn.ambient_temp
95
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-03-03
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0000
Software
Data collection
_software.classification
ADSC (Quantum)
Data processing
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Refinement #1
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
Refinement #2
_software.classification
REFMAC (5.2.0019)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
154.19 154.19 85.87 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980001.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 51.370 2.950
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.800 2.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.071 0.362
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 26107 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 25.30 5.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.7 99.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.0 11.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3CVR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-04-19
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.8 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2506 / 0.2765
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD