9F5J

SARS-CoV-2 Nucleocapsid N-terminal domain (NTD) mutant Q58I

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	2024-02-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.8929
Spacegroup name	P 21 21 21
Unit cell lengths	47.780, 49.715, 114.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.124 - 2.200
Rwork	0.202
R-free	0.24230
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.909
Data reduction software	autoPROC (1.1.7)
Data scaling software	Aimless (0.7.13)
Phasing software	CRANK2 (2.0.339)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.250	114.250	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.104	0.060	0.611
Rmeas	0.106	0.061	0.629
Rpim	0.022	0.012	0.148
Number of reflections	14476	263	1257
<I/σ(I)>	25	48.9	6.4
Completeness [%]	100.0
Redundancy	43.2	34.2	33.7
CC(1/2)	0.999	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	200mM Ammonium sulfate 10mM Cadmium chloride 25% PEG Smear Medium 100mM HEPES pH 7.5 30mM Manganese chloride