28NP

Crystal structure of the Norovirus GII.4 P domain in complex with 3 sialyl fucosyllactose

This is a non-PDB format compatible entry.

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	2024-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97856
Spacegroup name	I 2 2 2
Unit cell lengths	86.917, 100.231, 130.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.280 - 1.950
Rwork	0.144
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	2.106
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]	46.280	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.104	0.640
Rmeas	0.118	0.725
Rpim	0.039	0.240
Number of reflections	41854	2904
<I/σ(I)>	12.8	3.1
Completeness [%]	100.0	99.9
Redundancy	8.7	8.9
CC(1/2)	0.998	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M NaSCN 24% PEG3350 Cryo: 30% PEG3350. 20mM ligand