Data quality metrics extracted from 4c0f.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 4C0F 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
SLS BEAMLINE X10SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2011-11-27
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00001,0.97945
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
PHASER
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 65 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.83 64.83 412.29 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000010.97945 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 49.300 2.460
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.400 2.400
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.100 0.800
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 21312 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.20 2.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.4 99.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.7 6.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
4C0F
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-08-01
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.3 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2170 / 0.2628
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD
Starting model
_refine.pdbx_starting_model
NONE