Data quality metrics extracted from 4kjr.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 4KJR 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
ALS BEAMLINE 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-13
Detector
_diffrn_detector.type
NOIR-1
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790, 0.9792, 0.9641
Software
Data collection
_software.classification
CrystalClear
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.6.0117)
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
170.297 170.297 95.265 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979000.979200.96410 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 85.160
High resolution limit [Å] 
_reflns.d_resolution_high
 2.900
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 22530
  <I/σ(I)> -
Completeness [%] 
_reflns.percent_possible_obs
 99.9
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4KJR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-05-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
85.2 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2391 / 0.2681
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD