28WR

Crystal structure of the Norovirus GII.17 P domain in complex with Lacto-N-difucohexaose I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	58.811, 85.923, 64.213
Unit cell angles	90.00, 105.91, 90.00

Refinement procedure

Resolution	42.961 - 1.100
Rwork	0.138
R-free	0.16110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.697
Data reduction software	XDS
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.240	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.055	0.831
Rmeas	0.065	1.030
Rpim	0.035	0.599
Number of reflections	247453	12232
<I/σ(I)>	13.9
Completeness [%]	99.8	99.5
Redundancy	6.3	5.5
CC(1/2)	0.990	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M magnesium acetate, 14% PSM, 0.1 M Tris pH 8.5. Cryo: 30% PSM. 20mM ligand