Data quality metrics extracted from 4kxf.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 4KXF 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
PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
AR-NW12A
Temperature [K]
_diffrn.ambient_temp
200
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2012-12-10
Detector
_diffrn_detector.type
ADSC QUANTUM 210r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0, 1.008, 1.06, 1.225
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine: 1.8_1069)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
334.052 334.052 177.567 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.008001.060001.22500 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 99.000 3.310
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.200 3.200
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.114 0.585
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 150190 15039
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.9 92.2
Multiplicity 
_reflns.pdbx_redundancy
 2.6 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4KXF
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-05-25
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.3 - 3.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2260 / 0.2656
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD