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9FWL

Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025

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 date2022-06-02
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97625
Spacegroup nameP 1 21 1
Unit cell lengths43.950, 100.303, 51.378
Unit cell angles90.00, 114.64, 90.00
Refinement procedure
Resolution23.350 - 2.090
R-factor0.1828
Rwork0.180
R-free0.22890
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.008
RMSD bond angle0.930
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]50.15250.1522.126
High resolution limit [Å]2.0905.6712.090
Rmerge0.1210.0610.915
Rmeas0.1300.0660.989
Rpim0.0490.0250.371
Total number of observations16881785298238
Number of reflections2395312291163
<I/σ(I)>10.9526.752.23
Completeness [%]100.099.9100
Redundancy7.056.947.08
CC(1/2)0.9960.9960.743
Anomalous redundancy3.63.63.6
CC(ano)-0.065-0.014-0.045
|DANO|/σ(DANO)0.80.90.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293Morpheus buffer 2 (pH: 7.5): 0.10M - Morpheus Ethylene glycols: 36.50%w/v Morpheus Amino acids: 0.09M

239149

PDB entries from 2025-07-23

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