Data quality metrics extracted from 5f0k.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 5F0K 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
SOLEIL BEAMLINE PROXIMA 1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2012-03-31
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979030
Software
Data collection
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHELX
Model building
_software.classification
BUCCANEER
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 1 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
200.7 108.6 167.9 90.0 125.5 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97903 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 3.060
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.950 6.350 2.950
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.063 0.029 0.656
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.081 0.038 0.841
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.050 0.024 0.520
Total number of observations 
_reflns.pdbx_number_measured_all
 141769 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 62588 6318 6228
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.40 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.6 97.4 98.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.3 2.3 2.3
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.998 0.697

Refinement
PDB entry ID
_entry.id
5F0K
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-11-27
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
47.9 - 3.074 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2058 / 0.2553
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD