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 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	2022-06-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	62.265, 70.817, 109.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.450 - 2.381
R-factor	0.2133
Rwork	0.211
R-free	0.24600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.900
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]	59.446	59.446	2.422
High resolution limit [Å]	2.381	6.461	2.381
Rmerge	0.139	0.044	1.390
Rmeas	0.144	0.046	1.444
Rpim	0.039	0.014	0.386
Total number of observations	267045	13351	13601
Number of reflections	19992	1102	992
<I/σ(I)>	16.99	45.67	2.42
Completeness [%]	100.0	99.7	100
Redundancy	13.36	12.12	13.71
CC(1/2)	0.997	0.997	0.783
Anomalous redundancy	7.2	7.2	7.2
CC(ano)	0.096	0.423	-0.039
|DANO|/σ(DANO)	0.9	1.4	0.7

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: 21.50%w/v Morpheus Amino acids: 0.06M