Data quality metrics extracted from 7suw.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 7SUW 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
CHESS BEAMLINE F1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
CHESS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
F1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2018-06-18
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
.9775
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX (1.14_3260)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
42.127 41.737 71.906 90.00 103.86 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97750 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 34.910 34.910 1.480
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.450 7.840 1.460
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.035 0.017 0.478
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.042 0.020 0.566
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.022 0.010 0.300
Total number of observations 
_reflns_shell.number_measured_all
 - 916 6470
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 40634 293 1934
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 20.80 63.50 2.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.4 96.2 89.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.4 3.1 3.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.999 0.999 0.792

Refinement
PDB entry ID
_entry.id
7SUW
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2021-11-18
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
22.7 - 1.456 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1614 / 0.1904
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4ZAO