9FWO

Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00216

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	62.074, 70.553, 108.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.150 - 2.179
R-factor	0.2168
Rwork	0.215
R-free	0.24880
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.920
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]	70.553	70.553	2.216
High resolution limit [Å]	2.179	5.913	2.179
Rmerge	0.213	0.069	1.810
Rmeas	0.222	0.072	1.879
Rpim	0.060	0.021	0.503
Total number of observations	342602	16945	17281
Number of reflections	25235	1401	1251
<I/σ(I)>	10.73	26.83	2.2
Completeness [%]	98.4	98.7	97.9
Redundancy	13.58	12.09	13.81
CC(1/2)	0.994	0.994	0.680
Anomalous redundancy	7.2	7.1	7.2
CC(ano)	-0.106	0.233	-0.012
|DANO|/σ(DANO)	0.8	1.0	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: 27.50%w/v Morpheus Amino acids: 0.17M