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6XA9

SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyPIXEL
Collection date2020-05-27
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.9537
Spacegroup nameP 41 21 2
Unit cell lengths124.172, 124.172, 238.169
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.280 - 2.900
R-factor0.2011
Rwork0.200
R-free0.23050
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB entries 6WRH & 6FFA
RMSD bond length0.006
RMSD bond angle0.939
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.16_3549)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.2803.010
High resolution limit [Å]2.9002.900
Rmerge0.1632.876
Number of reflections421704344
<I/σ(I)>10.5
Completeness [%]100.0100
Redundancy13.714.2
CC(1/2)0.9980.496
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52930.2 M lithium sulfate, 25% PEG3350, 0.1 M Bis-Tris chloride, pH 6.5

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