9CN2

Human astrovirus 2 spike bound to neutralizing scFv 4B6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 3 2
Unit cell lengths	160.348, 160.348, 160.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.850 - 2.670
R-factor	0.2168
Rwork	0.212
R-free	0.25930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.069
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1-4487))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	160.640	2.720
High resolution limit [Å]	2.670	2.670
Rmerge	0.191	3.291
Number of reflections	20653	1020
<I/σ(I)>	23.4
Completeness [%]	100.0	100
Redundancy	74.5
CC(1/2)	0.999	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295.15	0.1 M Tris-HCl pH 8.5, and 0.74 M sodium citrate pH 5.5