Data quality metrics extracted from 5jq6.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 5JQ6 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 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
120
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-03-11
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0135)
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}
234.287 84.086 48.626 90.0 98.9 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97900 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
20.000
High resolution limit [Å]
_reflns.d_resolution_high
2.400
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.090
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
36373
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
7.30
Completeness [%]
_reflns.percent_possible_obs
100.0
Multiplicity
_reflns.pdbx_redundancy
4.3
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
5JQ6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-05-04
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2079 / 0.2590
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
2VR3, 1F8T