9MVL

Co-crystal structure of feline coronavirus UU23 main protease with GC376

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9
Spacegroup name	P 43 2 2
Unit cell lengths	77.166, 77.166, 150.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.510 - 1.500
R-factor	0.1471
Rwork	0.147
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.510	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.011
Number of reflections	73573	7247
<I/σ(I)>	28.4
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	10-20 % (w/v) PEG 3350, 0.20 M NaCl, and 0.1 M Bis-Tris methane pH 5.5