Data quality metrics extracted from 2bjv.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 2BJV 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-09-28
Detector
_diffrn_detector.type
ADSC
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97, 1.1
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
113.613 113.613 39.145 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.970001.10000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.000 1.760
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.044 0.277
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 29411 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 26.00 3.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 91.6 60.5
Multiplicity 
_reflns.pdbx_redundancy
 3.1 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2BJV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-02-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
37.0 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1724 / 0.2124
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD