Data quality metrics extracted from 6hep.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 6HEP 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
80
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2015-11-26
Detector
_diffrn_detector.type
PSI PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.07027
Software
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
Aimless
Phasing
_software.classification
MOLREP
Refinement
_software.classification
PHENIX (dev_3139: ???)
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}
70.619 111.599 130.750 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.07027 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
70.620 10.000
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
1.340 1.680
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
231938 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
6.70 -
Completeness [%]
_reflns.percent_possible_obs
99.7 -
Multiplicity
_reflns.pdbx_redundancy
12.3 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6HEP
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-08-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
65.4 - 1.860 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2510