Data quality metrics extracted from 3blv.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 3BLV 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 5.0.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
5.0.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2003-11-07
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791, 0.9796
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
SHARP
Phasing #2
_software.classification
PHASER
Refinement
_software.classification
PHENIX (phenix.refine)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
256.899 112.949 125.616 90.00 106.67 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.97960 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 3.310
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.200 3.200
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.101 0.556
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 109531 11104
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.00 2.10
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.8 97.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.1 3.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3BLV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-12-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.3 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2212 / 0.2649
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD and MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 1WPW