Data quality metrics extracted from 3or1.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 3OR1 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
SPRING-8 BEAMLINE BL26B2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SPring-8
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL26B2
Temperature [K]
_diffrn.ambient_temp
110
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-01-27
Detector
_diffrn_detector.type
RIGAKU JUPITER 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.73772, 1.74137, 1.69379, 1.760
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
114.721 60.478 132.915 90.0 94.3 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.737721.741371.693791.76000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 30.000 1.820
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.760 1.760
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.071 0.381
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 179998 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 18.70 2.90
Completeness [%] 
_reflns_shell.percent_possible_all
 - 99.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.0 3.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3OR1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-09-06
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.760 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1930 / 0.2120
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD