Data quality metrics extracted from 2ocg.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 2OCG 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
APS BEAMLINE 32-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
32-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-07-12
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0029, 0.9791, 0.9793, 0.9565
Software
Data processing
_software.classification
d*TREK (8.0L; May 8 2003; Pflugrath, J.W.; jwp@RigakuMSC.com)
Data scaling
_software.classification
d*TREK
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 62
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
88.97 88.97 86.34 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.002900.979100.979300.95650 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 44.490 44.490 1.810
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.750 3.770 1.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.065 0.043 0.331
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 45255 42603
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 39135 3988 3884
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 18.70 41.00 6.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 11.3 11.0 10.9
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2OCG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-12-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.5 - 1.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1820 / 0.2010
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD