Data quality metrics extracted from 7ocx.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 7OCX 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
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-12-11
Detector
_diffrn_detector.type
DECTRIS EIGER2 X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.00, 1.54
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
AutoSol
Refinement
_software.classification
PHENIX (1.19.1_4122)
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}
43.980 68.002 130.585 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000001.54000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 41.680 1.761
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.086 -
  Rmeas - -
Rpim 
_reflns.pdbx_Rpim_I_all
 0.025 -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 43394 3808
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 16.24 0.56
Completeness [%] 
_reflns.percent_possible_obs
 97.9 -
Multiplicity 
_reflns.pdbx_redundancy
 12.7 -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.171

Refinement
PDB entry ID
_entry.id
7OCX
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-04-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
41.7 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1940 / 0.2317
Structure solution method
_refine.pdbx_method_to_determine_struct
SIRAS