8G0W

Crystal structure of human norovirus GII.4 P domain in complex with Nanobody M4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	103.511, 90.675, 107.212
Unit cell angles	90.00, 113.26, 90.00

Refinement procedure

Resolution	48.820 - 2.870
R-factor	0.2526
Rwork	0.251
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jie
RMSD bond length	0.002
RMSD bond angle	0.550
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.820	2.990
High resolution limit [Å]	2.870	2.870
Rmerge	0.154	0.468
Rpim	0.106	0.330
Number of reflections	41417	4625
<I/σ(I)>	5.3	2
Completeness [%]	99.0	98.5
Redundancy	3.7
CC(1/2)	0.980	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2% v/v Tacsimate TM pH 4.0, 0.1 M Sodium acetate trihydrate pH 4.6, 16% w/v Polyethylene glycol 3,350