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9FWP

Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00198

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2022-06-03
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97625
Spacegroup nameP 21 21 21
Unit cell lengths62.265, 70.817, 109.384
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution59.450 - 2.381
R-factor0.2133
Rwork0.211
R-free0.24600
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.007
RMSD bond angle0.900
Data reduction softwareXDS (Jan 10, 2022)
Data scaling softwareAimless (0.7.7)
Refinement softwareBUSTER (2.10.4)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]59.44659.4462.422
High resolution limit [Å]2.3816.4612.381
Rmerge0.1390.0441.390
Rmeas0.1440.0461.444
Rpim0.0390.0140.386
Total number of observations2670451335113601
Number of reflections199921102992
<I/σ(I)>16.9945.672.42
Completeness [%]100.099.7100
Redundancy13.3612.1213.71
CC(1/2)0.9970.9970.783
Anomalous redundancy7.27.27.2
CC(ano)0.0960.423-0.039
|DANO|/σ(DANO)0.91.40.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293Morpheus buffer 2 (pH: 7.5): 0.10M - Morpheus Ethylene glycols: 21.50%w/v Morpheus Amino acids: 0.06M

238895

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