Data quality metrics extracted from 6huh.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 6HUH 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
SOLEIL BEAMLINE PROXIMA 2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SOLEIL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PROXIMA 2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2017-04-08
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9801
Software
Data reduction
_software.classification
XDS (v20160617)
Data scaling
_software.classification
Aimless (v0.5.31)
Phasing
_software.classification
MrBUMP (v7.0.027)
Refinement
_software.classification
BUSTER (2.10.3)
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}
143.79 42.58 99.71 90.00 114.37 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980100.98010 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 68.100 2.880
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.776 2.780
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.156 0.672
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 13454 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.20 2.30
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 94.2 99.2
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.0 3.1
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6HUH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-10-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
68.1 - 2.780 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2050 / 0.2690
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4GN2