Data quality metrics extracted from 6hqb.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 6HQB 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
ESRF BEAMLINE ID23-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID23-2
Temperature [K]
_diffrn.ambient_temp
82
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-07-08
Detector
_diffrn_detector.type
DECTRIS PILATUS 2M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.873
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing #1
_software.classification
MOLREP
Phasing #2
_software.classification
PHASER
Refinement
_software.classification
PHENIX (1.14_3228: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
124.322 178.658 181.446 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.999000.87300 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 4.000
  Rmerge -
  Rmeas -
Rpim 
_reflns.pdbx_Rpim_I_all
 0.092
  Total number of observations -
Total number unique 
_reflns.number_obs
 34852
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 4.90
Completeness [%] 
_reflns.percent_possible_obs
 99.7
Multiplicity 
_reflns.pdbx_redundancy
 24.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
6HQB
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-09-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
49.3 - 4.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2552 / 0.2950
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