Data quality metrics extracted from 3som.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 3SOM 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
DIAMOND BEAMLINE I24
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I24
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2011-05-27
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96860, 0.97880
Software
Data collection
_software.classification
GDA
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SHARP
Refinement
_software.classification
BUSTER (2.8.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
71.664 71.960 300.055 88.53 85.25 83.76
Wavelength
_diffrn_radiation_wavelength.wavelength
0.968600.97880 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 19.860
High resolution limit [Å] 
_reflns.d_resolution_high
 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.193
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 229004
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 8.60
Completeness [%] 
_reflns.percent_possible_obs
 98.6
Multiplicity 
_reflns.pdbx_redundancy
 7.2
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3SOM
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-06-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1817 / 0.2056
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD