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9ZOT

OXA-23-JDB/PQ-1-219, 30 min complex

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-2
Synchrotron siteSSRL
BeamlineBL9-2
Temperature [K]100
Detector technologyPIXEL
Collection date2023-12-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97946
Spacegroup nameP 42 21 2
Unit cell lengths82.808, 82.808, 86.291
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.260 - 1.750
R-factor0.1778
Rwork0.177
R-free0.19800
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.007
RMSD bond angle1.198
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwarePHENIX ((1.21.2_5419: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.3001.780
High resolution limit [Å]1.7501.750
Rmeas0.090
Rpim0.0200.466
Number of reflections309511667
<I/σ(I)>19.81.7
Completeness [%]100.0
Redundancy19.4
CC(1/2)1.0000.825
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.2 M lithium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350

247947

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