Data quality metrics extracted from 7skh.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 7SKH 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 24-ID-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
24-ID-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-03-08
Detector
_diffrn_detector.type
DECTRIS EIGER2 X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97911
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
90.861 90.861 170.680 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97911 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.310
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.265 2.265
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 34006 1478
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 30.50 3.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 89.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 22.3 12.1
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.993 0.777

Refinement
PDB entry ID
_entry.id
7SKH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-10-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.3 - 2.265 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2087 / 0.2517
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
5WJM