Data quality metrics extracted from 3bvp.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 3BVP 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
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
2007-07-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0722, 1.0726, 1.0540
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1
_software.classification
SOLVE (2.03; 20-Sept-2002; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.03; 10-Aug-2002; Terwilliger, T. C; terwilliger@LANL.gov)
Refinement
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
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}
67.229 67.229 174.565 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.009300.920000.920300.909901.072201.072601.05400 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.180
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 4.520 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.056 0.026 0.440
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 23563 2623 1863
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.80 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.4 97.9 77.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.1 8.0 5.1
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3BVP
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-01-07
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.0 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1980 / 0.2630
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD