Data quality metrics extracted from 3otj.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 3OTJ at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
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
PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-6A
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-06-13
Detector
_diffrn_detector.type
ADSC QUANTUM 4r
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
nCNS
Refinement
_software.classification
nCNS
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
75.604 85.361 122.551 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.600001.00000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 37.890 2.230
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.150 2.150
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.144 0.363
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 20552 -
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 0.39
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 92.7 90.9
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3OTJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-09-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
35.9 - 1.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1980 / 0.2090