Data quality metrics extracted from 2o14.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 2O14 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
NSLS BEAMLINE X4A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X4A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-10-05
Detector
_diffrn_detector.type
ADSC QUANTUM 1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97908, 0.97932, 0.96797
Software
Data collection
_software.classification
ADSC (QUANTUM)
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SnB
Refinement
_software.classification
CNS (1.1)
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}
85.425 59.774 92.388 90.00 100.34 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979080.979320.96797 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 2.180
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.100 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.070 0.253
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 47440 3738
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.70 3.90
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 91.5 72.0
Multiplicity 
_reflns.pdbx_redundancy
 3.6 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2O14
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-11-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.8 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1890 / 0.2050
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD