Data quality metrics extracted from 7ob6.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 7OB6 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
DIAMOND BEAMLINE I03
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Diamond
Beamline
_diffrn_source.pdbx_synchrotron_beamline
I03
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2019-05-03
Detector
_diffrn_detector.type
DECTRIS EIGER2 XE 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9763, 1.2824
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
Aimless
Data scaling #2
_software.classification
pointless
Phasing
_software.classification
SHELX
Refinement #1
_software.classification
REFMAC (5.8.0267)
Refinement #2
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 32 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
123.392 123.392 96.530 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.976301.28240 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.260 48.260 2.710
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.598 9.000 2.600
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.094 0.018 4.086
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.106 0.020 4.649
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.050 0.009 2.198
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 26494 694 3143
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.40 - -
Completeness [%] 
_reflns.percent_possible_obs
 99.8 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 8.5 7.8 8.4
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 1.000 0.368

Refinement
PDB entry ID
_entry.id
7OB6
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-04-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.8 - 2.598 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2344 / 0.2853
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD