7NXH

Structure of SARS-CoV2 NSP5 (3C-like proteinase) determined in-house

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-25
Detector	Bruker PHOTON III
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	113.910, 53.430, 44.970
Unit cell angles	90.00, 101.85, 90.00

Refinement procedure

Resolution	23.300 - 2.100
R-factor	0.219
Rwork	0.216
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k3t
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.170	0.990
Number of reflections	29702	1989
<I/σ(I)>	8.48
Completeness [%]	95.4	80.2
Redundancy	5.9
CC(1/2)	0.990	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M ammonium phosphate, 20% PEG 3350, 1.5 mM zinc chloride