Data quality metrics extracted from 5kev.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 5KEV at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2015-11-13
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97935, 0.97927, 0.97943
Software
Data reduction
_software.classification
HKL-3000
Data scaling
_software.classification
HKL-3000
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.10.1_2155)
General information
Spacegroup name
_symmetry.space_group_name_H-M
F 4 3 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
211.012 211.012 211.012 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979350.979270.97943 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.609 50.000 2.700
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.650 7.190 2.650
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.076 0.032 1.724
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs
 12322 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.40 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 98.8 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 36.1 29.2 36.5
CC(1/2) 
_reflns.pdbx_CC_half
 0.934 - -

Refinement
PDB entry ID
_entry.id
5KEV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-06-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
40.6 - 2.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2600 / 0.2981
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD