Data quality metrics extracted from 4dfj.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 4DFJ 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 X06SA
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X06SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-08
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0000
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHENIX (1.7.3_928)
Model building
_software.classification
PHENIX (phenix.refine: 1.7.3_928)
Refinement
_software.classification
PHENIX (phenix.refine: 1.7.3_928)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
108.88 108.88 90.44 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
50.000
High resolution limit [Å]
_reflns.d_resolution_high
1.900
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
46509
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
16.71
Completeness [%]
_reflns.percent_possible_obs
98.0
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4DFJ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2012-01-23
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.8 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1803 / 0.2045