9S3N

SARS-CoV-2 nucleocapsid N/C-terminal domain in complex with BCY17628

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9999
Spacegroup name	P 43 21 2
Unit cell lengths	91.942, 91.942, 68.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.971 - 1.930
R-factor	0.2479
Rwork	0.247
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.781
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.010	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.132	5.969
Rmeas	0.134	6.119
Rpim	0.027	1.333
Total number of observations	568153	23054
Number of reflections	22732	1100
<I/σ(I)>	13.9	0.4
Completeness [%]	100.0
Redundancy	25	21
CC(1/2)	0.996	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	18 % w/v PEG 1000 0.1 M Sodium/potassium phosphate 6.2 0.2 M Sodium chloride