9F5L

SARS-CoV-2 Nucleocapsid N-terminal domain (NTD) mutant A119S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97598
Spacegroup name	P 21 21 21
Unit cell lengths	58.871, 92.203, 99.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.620 - 2.363
R-factor	0.314
Rwork	0.314
R-free	0.32290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.770
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.110	2.490
High resolution limit [Å]	2.363	2.363
Number of reflections	22537	2266
<I/σ(I)>	3.1	1.3
Completeness [%]	99.2	97.8
Redundancy	6.8	12.1
CC(1/2)	0.963	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	200mM Sodium acetate trihydrate 100mM Tris-HCl pH 8.5 30% PEG 4000