7XXK

Crystal structure of SARS-CoV-2 N-CTD in complex with GMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	43.783, 116.992, 127.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.000
R-factor	0.1809
Rwork	0.178
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c22
RMSD bond length	0.008
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4 (16-JUL-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.184	1.274
Number of reflections	45025	3254
<I/σ(I)>	12	2.1
Completeness [%]	99.9
Redundancy	13
CC(1/2)	0.997	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.15 M potassium thiocyanate, 30% w/v PEG MME 2000