Data quality metrics extracted from 2b4q.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 2B4Q 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
APS BEAMLINE 22-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
22-ID
Temperature [K]
_diffrn.ambient_temp
170
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-06-16
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979260
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
CCP4 (SCALA)
Phasing #1
_software.classification
CNS (CRYSTAL 2)
Phasing #2
_software.classification
AMoRE (CRYSTAL 1)
Refinement #1
_software.classification
REFMAC (5.2.0005)
Refinement #2
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
73.138 142.610 95.684 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976250.97926 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.000 2.400
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.117 0.341
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 22417 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 5.10 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 98.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.4 7.6
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2B4Q
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-09-26
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2120 / 0.2640
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD (crystal 2) followed by molecular replacement (crystal 1)