Data quality metrics extracted from 5kmn.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 5KMN 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
2012-10-26
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}
52.15 52.15 228.53 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
 44.300 44.304 2.250
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.136 6.750 2.140
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs
 0.140 0.103 0.515
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.155 0.115 0.569
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.049 0.039 0.179
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 201423 6387 29577
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 20356 720 2943
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.90 4.40 1.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 100.0 99.7 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.9 8.9 10.0
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5KMN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-06-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
44.3 - 2.140 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1936 / 0.2223
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS