9FWQ

Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00218

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	61.906, 70.768, 108.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.320 - 2.322
R-factor	0.2133
Rwork	0.211
R-free	0.26040
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.324	54.324	2.362
High resolution limit [Å]	2.322	6.301	2.322
Rmerge	0.325	0.070	1.855
Rmeas	0.339	0.073	1.934
Rpim	0.093	0.021	0.540
Total number of observations	284518	14154	13668
Number of reflections	21248	1168	1071
<I/σ(I)>	12.24	28.82	2.73
Completeness [%]	100.0	99.9	100
Redundancy	13.39	12.12	12.76
CC(1/2)	0.991	0.998	0.685
Anomalous redundancy	7.2	7.2	6.7
CC(ano)	-0.057	0.244	-0.013
|DANO|/σ(DANO)	0.8	1.1	0.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus buffer 2 (pH: 7.5): 0.10M - Morpheus Ethylene glycols: 29.00%w/v Morpheus Amino acids: 0.20M