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8UUH

SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 17-ID-2
Synchrotron siteNSLS-II
Beamline17-ID-2
Temperature [K]100
Detector technologyPIXEL
Collection date2023-07-07
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.92
Spacegroup nameI 41 2 2
Unit cell lengths114.713, 114.713, 218.719
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.670 - 2.800
R-factor0.2285
Rwork0.227
R-free0.26230
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.003
RMSD bond angle0.530
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]101.5902.950
High resolution limit [Å]2.8002.800
Number of reflections184242643
<I/σ(I)>9.5
Completeness [%]100.0
Redundancy26.7
CC(1/2)0.9970.581
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62770.2M Zinc Acetate, 0.1M Bis Tris pH 6.0, 10% PEG 8000

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