Data quality metrics extracted from 5kmk.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 5KMK 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 17-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-03-23
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
SCALA (3.3.16)
Phasing
_software.classification
BUSTER
Refinement
_software.classification
BUSTER-TNT
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 1 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
52.307 52.307 224.886 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.300 45.299 2.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.245 7.100 2.240
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.045 0.029 0.461
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.050 0.032 0.510
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.016 0.011 0.157
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 170512 5172 25700
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 17349 622 2503
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 27.70 16.90 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.8 99.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.8 8.3 10.3
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5KMK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-06-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.3 - 2.240 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2238 / 0.2805
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS