Data quality metrics extracted from 8ew8.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 8EW8 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
APS BEAMLINE 23-ID-D
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-D
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-02-07
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.964370, 0.979370, 0.979610
Software
Data reduction
_software.classification
XDS (VERSION Nov 11, 2017 BUILT=20171111)
Data scaling
_software.classification
XSCALE (VERSION Nov 11, 2017 BUILT=20171111)
Phasing #1
_software.classification
PHASER (2.8.0)
Phasing #2
_software.classification
AutoSol
Model building
_software.classification
Coot (0.9.5)
Refinement
_software.classification
PHENIX (1.19.2_4158)
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}
127.39 127.39 54.27 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.964370.979370.97961 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 48.700 2.227
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.150 2.150
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.098 0.996
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.101 1.039
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.023 0.284
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 27153 2241
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 21.80 2.38
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.6 81.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.8 12.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.702

Refinement
PDB entry ID
_entry.id
8EW8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-10-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.7 - 2.150 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1784 / 0.2116
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD