Data quality metrics extracted from 7ur2.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 7UR2 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
NSLS-II BEAMLINE 17-ID-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS-II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2020-07-20
Detector
_diffrn_detector.type
DECTRIS EIGER X 9M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9201
Software
Data reduction
_software.classification
autoPROC (1.0.5)
Data scaling
_software.classification
autoPROC (1.0.5)
Phasing
_software.classification
PHENIX (1.19.2-4128)
Refinement
_software.classification
BUSTER (2.10.3)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
72.16 82.42 83.27 81.09 71.79 79.88
Wavelength
_diffrn_radiation_wavelength.wavelength
1.195000.979200.979300.92010 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 78.640 1.920
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.890 1.890
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.061 1.294
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.063 1.329
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.015 0.303
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 137673 6729
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 31.60 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.9 94.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 18.3 19.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 1.000 0.907

Refinement
PDB entry ID
_entry.id
7UR2
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2022-04-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
61.0 - 1.890 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1950 / 0.2180
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD