Data quality metrics extracted from 5ksc.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 5KSC at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
NEUTRON DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
LAUE
Source type
_diffrn_source.source
NUCLEAR REACTOR
Source details
_diffrn_source.type
ORNL Spallation Neutron Source BEAMLINE MANDI
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ORNL Spallation Neutron Source
Beamline
_diffrn_source.pdbx_synchrotron_beamline
MANDI
Temperature [K]
_diffrn.ambient_temp
293
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
2015-03-03
Detector
_diffrn_detector.type
ORNL ANGER CAMERA
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
2-4
Software
Data processing
_software.classification
Mantid
Phasing
_software.classification
SHELX
Refinement #1
_software.classification
SHELX (SHELXL-97)
Refinement #2
_software.classification
SHELXL-97
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
73.296 73.296 99.093 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
2.000004.00000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 14.730
High resolution limit [Å] 
_reflns.d_resolution_high
 2.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.160
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 13173
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.10
Completeness [%] 
_reflns.percent_possible_obs
 71.5
Multiplicity 
_reflns.pdbx_redundancy
 3.1
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5KSC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-07-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 2.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2400 / 0.2800
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given