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8HVL

Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL02U1
Synchrotron siteSSRF
BeamlineBL02U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-09-03
DetectorDECTRIS EIGER2 S 9M
Wavelength(s)0.97918
Spacegroup nameP 1 21 1
Unit cell lengths55.080, 98.650, 59.101
Unit cell angles90.00, 108.31, 90.00
Refinement procedure
Resolution49.310 - 1.450
R-factor0.205301642143
Rwork0.204
R-free0.23024
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.422
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX (1.12_2829)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.3301.530
High resolution limit [Å]1.4501.450
Rmerge0.0370.414
Number of reflections10411414836
<I/σ(I)>20.4
Completeness [%]98.3
Redundancy5.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.12M-0.21M Na2SO4, 20%-24% PEG3350

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