Data quality metrics extracted from 7duk.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 7DUK 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
SSRL BEAMLINE BL12-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL12-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-06-19
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M-F
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9898
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (DEV-3318)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
400.83 400.83 174.67 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98980 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 39.884 39.884 2.990
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.920 13.040 2.920
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 1.406 - 9.860
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 1.415 - 9.938
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all
 26452135 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 292971 3546 12235
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 7.54 - 0.35
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.9 94.1 54.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 90.3 89.0 40.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.995 - 0.420

Refinement
PDB entry ID
_entry.id
7DUK
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-01-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
39.9 - 3.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1859 / 0.2280
Structure solution method
_refine.pdbx_method_to_determine_struct
FOURIER SYNTHESIS