9RXL

SARS-CoV-2 nucleocapsid C-terminal domain in complex with BCY00018176

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	73.043, 73.043, 116.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.940 - 1.460
R-factor	0.1844
Rwork	0.183
R-free	0.21449
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.810
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.940	1.540
High resolution limit [Å]	1.460	1.460
Rmerge	0.206	9.656
Rmeas	0.208	9.730
Rpim	0.026	1.196
Total number of observations	3616304	522583
Number of reflections	55845	8002
<I/σ(I)>	18.6	0.7
Completeness [%]	100.0
Redundancy	64.8	65.3
CC(1/2)	1.000	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Na Acet 4.6 pH,25 % w/v PEG 4K., 0.2 M (NH4)2SO4