Data quality metrics extracted from 4jfq.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 4JFQ 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 1-BM-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
1-BM-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-11-16
Software
Phasing
_software.classification
PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
84.096 58.359 89.432 90.00 109.82 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
NA

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
84.220
High resolution limit [Å]
_reflns.d_resolution_high
1.900
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
64546
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
100.0
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
4JFQ
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2013-02-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
84.2 - 1.900 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2156 / 0.2966
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given