7VK2

Crystal Structure of SARS-CoV-2 Mpro at 2.0 A resolution -9

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	115.000, 54.800, 45.400
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	31.990 - 2.000
R-factor	0.234
Rwork	0.229
R-free	0.27470
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 (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.550	34.550	2.050
High resolution limit [Å]	2.000	8.940	2.000
Number of reflections	18870	221	1405
<I/σ(I)>	7.6
Completeness [%]	100.0	98.5	100
Redundancy	1	1	1
CC(1/2)	0.993	0.993	0.993

Crystallization Conditions

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