6E47

Crystal Structure of the Murine Norovirus VP1 P domain in complex with the CD300lf Receptor and Glycochenodeoxycholic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-10-02
Detector	NOIR-1
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	49.105, 134.824, 139.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.700 - 1.950
R-factor	0.2109
Rwork	0.208
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3LQ6 & 5FFL
RMSD bond length	0.007
RMSD bond angle	0.612
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.700	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.244
Number of reflections	67388	1306
<I/σ(I)>	6.48
Completeness [%]	87.0
Redundancy	5.8
CC(1/2)	0.991	0.046

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	0.1 M Tris, pH 8.7, 0.11 M magnesium chloride, 11% PEG10000, 100 uM sodium glycochenodeoxycholate