9FWM

Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00180

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 1 21 1
Unit cell lengths	44.006, 99.531, 51.191
Unit cell angles	90.00, 114.94, 90.00

Refinement procedure

Resolution	46.420 - 1.574
R-factor	0.184
Rwork	0.182
R-free	0.21350
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.060
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]	46.418	46.418	1.601
High resolution limit [Å]	1.574	4.270	1.574
Rmerge	0.109	0.052	1.174
Rmeas	0.118	0.056	1.267
Rpim	0.045	0.022	0.471
Total number of observations	378678	18786	19225
Number of reflections	54902	2800	2741
<I/σ(I)>	13.33	31.9	2.11
Completeness [%]	99.3	99.5	99.6
Redundancy	6.9	6.71	7.01
CC(1/2)	0.998	0.996	0.639
Anomalous redundancy	3.5	3.5	3.6
CC(ano)	-0.061	-0.001	-0.065
|DANO|/σ(DANO)	0.8	0.9	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: 36.50%w/v Morpheus Amino acids: 0.14M