8HVN

Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332

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	2022-09-03
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	67.902, 101.384, 103.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.770 - 1.900
R-factor	0.211233504069
Rwork	0.210
R-free	0.24304
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.290
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]	51.770	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.073	0.830
Number of reflections	56969	8219
<I/σ(I)>	18.6
Completeness [%]	100.0
Redundancy	11.2

Crystallization Conditions

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