9FWN

Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00219

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	61.464, 70.503, 108.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.250 - 1.866
R-factor	0.2076
Rwork	0.206
R-free	0.23070
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.980
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]	59.137	59.137	1.898
High resolution limit [Å]	1.866	5.063	1.866
Rmerge	0.114	0.052	1.535
Rmeas	0.118	0.054	1.594
Rpim	0.032	0.015	0.428
Total number of observations	530102	27024	26594
Number of reflections	39604	2171	1947
<I/σ(I)>	14.64	39.47	2.15
Completeness [%]	99.0	99.9	100
Redundancy	13.39	12.45	13.66
CC(1/2)	0.998	0.998	0.766
Anomalous redundancy	7.1	7.2	7.1
CC(ano)	-0.126	-0.005	-0.062
|DANO|/σ(DANO)	0.8	1.2	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: 30.50%w/v Morpheus Amino acids: 0.20M