9FWH

Crystal Structure of SARS-CoV-2 NSP10-ExoN in complex with VT00019

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	2022-06-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	62.038, 70.679, 109.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.360 - 2.350
R-factor	0.2213
Rwork	0.220
R-free	0.24740
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.930
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]	59.364	59.364	2.396
High resolution limit [Å]	2.350	6.391	2.355
Rmerge	0.107	0.046	1.337
Rmeas	0.112	0.049	1.388
Rpim	0.031	0.014	0.371
Total number of observations		13792	13943
Number of reflections	20366	1129	1010
<I/σ(I)>	16.12	42.3	2.14
Completeness [%]	99.2	99.7	100
Redundancy	13.33	12.22	13.8
CC(1/2)	0.998	0.998	0.786
Anomalous redundancy		7.3	7.2
CC(ano)		0.225	-0.027
|DANO|/σ(DANO)		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: 24.50%w/v Morpheus Amino acids: 0.09M