Data quality metrics extracted from 3soj.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 3SOJ 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
SSRL BEAMLINE BL9-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-02-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 0.9
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SHELXS
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
33.887 62.160 82.615 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.90000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 34.400
High resolution limit [Å] 
_reflns.d_resolution_high
 1.000
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 94896
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 99.7
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3SOJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-06-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
34.4 - 1.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1597 / 0.1813
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD