7VK1

Crystal Structure of SARS-CoV-2 Mpro at 1.93 A resolution-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	294
Detector technology	PIXEL
Collection date	2020-08-16
Detector	SLAC ePix10k 2M
Wavelength(s)	1.29
Spacegroup name	C 1 2 1
Unit cell lengths	114.000, 53.500, 45.000
Unit cell angles	90.00, 102.00, 90.00

Refinement procedure

Resolution	34.076 - 1.930
R-factor	0.221
Rwork	0.217
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cwb
Data reduction software	CrystFEL
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (dev_3318)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.076	29.150	1.630
High resolution limit [Å]	1.600	8.760	1.600
Number of reflections	26750	184	764
<I/σ(I)>	4.4
Completeness [%]	94.4	97.6	53.8
Redundancy	1	1	1
CC(1/2)	0.980	0.980	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6	294	0.1M MMT, 25% w/v PEG 1500