7VJY

Crystal Structure of Sars-Cov-2 Mpro at 1.90 A resolution-1

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	48.240 - 1.900
R-factor	0.2372
Rwork	0.233
R-free	0.27840
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]	48.240	35.360	1.730
High resolution limit [Å]	1.700	9.000	1.700
Number of reflections	26891	199	1431
<I/σ(I)>	6
Completeness [%]	100.0	98.6	100
Redundancy	1	1	1
CC(1/2)	0.988	0.988	0.988

Crystallization Conditions

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