8IG7

Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-29
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	55.186, 99.010, 59.420
Unit cell angles	90.00, 108.26, 90.00

Refinement procedure

Resolution	49.020 - 1.690
R-factor	0.210697380059
Rwork	0.209
R-free	0.24136
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.430	1.780
High resolution limit [Å]	1.690	1.690
Rmerge	0.041	0.707
Number of reflections	59685	9716
<I/σ(I)>	22.1
Completeness [%]	87.9
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20~24%PEG3350,0.12~0.21M sodium sulfate