9T3J

Protease from Norovirus Sydney GII.4 strain with crystallization epitope mutation H50Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976269
Spacegroup name	P 61
Unit cell lengths	128.895, 128.895, 118.126
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	81.132 - 2.411
Rwork	0.209
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.463
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.132	2.450
High resolution limit [Å]	2.410	2.410
Number of reflections	43061	2130
<I/σ(I)>	10.3
Completeness [%]	100.0
Redundancy	42.5
CC(1/2)	0.999	0.413

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	Ligand-friendly screen, condition F02 20% PEG3350 10% ethylene glycol 0.1M bis-tris-propane pH 6.5 0.2M sodium bromide