7DG6

Structure of SARS-Cov2-Mpro-1-302

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-28
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5406
Spacegroup name	P 21 21 2
Unit cell lengths	63.669, 44.551, 107.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.060 - 2.400
R-factor	0.1781
Rwork	0.175
R-free	0.23260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lu7
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.060	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	12509	1230
<I/σ(I)>	10.54
Completeness [%]	99.5
Redundancy	5.1
CC(1/2)	0.986	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M bicine, pH=9.0, 10% PEG20000, 2% 1,4-dioxane