28UT

Crystal structure of the Norovirus GII.4 P domain in complex with Lacto-N-fucopentaose I (LNFP I)

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 1 2 1
Unit cell lengths	86.581, 128.198, 102.701
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	46.618 - 2.000
Rwork	0.179
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.432
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]	46.620	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.621
Rmeas	0.117
Rpim	0.066	0.422
Number of reflections	75252	4432
<I/σ(I)>	10.4
Completeness [%]	99.9
Redundancy	6
CC(1/2)	0.990	0.790

Crystallization Conditions

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