8EN3

Structure of GII.17 norovirus in complex with Nanobody 45

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	79.495, 71.306, 82.615
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	44.530 - 2.100
R-factor	0.2146
Rwork	0.213
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f4o
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.260	2.230
High resolution limit [Å]	1.400	4.440	2.100
Rmerge		0.140	1.046
Rmeas		0.152	1.139
Number of reflections	49644	3405	7978
<I/σ(I)>	4.9	11.73	1.54
Completeness [%]	99.8	99.7	99.7
Redundancy	6.103	6.646	6.378
CC(1/2)	0.974	0.991	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	(1.6 M ammonium sulfate, 0.08 M sodium acetate, and 20% [v/v] glycerol)