9UX6

SARS-CoV2 Main protease(Mpro) complexed with RIP1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	62.570, 66.750, 81.210
Unit cell angles	80.67, 88.50, 69.91

Refinement procedure

Resolution	32.010 - 1.950
R-factor	0.1886
Rwork	0.186
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.049
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.050	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.133	0.799
Number of reflections	86230	6303
<I/σ(I)>	7.4
Completeness [%]	97.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3350, Magnesium formate dihydrate