8UFO

Crystal Structure of Gastrointestinal HAstV VA1 capsid spike domain at 1.46 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03
Spacegroup name	C 1 2 1
Unit cell lengths	109.616, 82.559, 61.120
Unit cell angles	90.00, 102.71, 90.00

Refinement procedure

Resolution	41.280 - 1.460
R-factor	0.1533
Rwork	0.153
R-free	0.17710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.350	1.490
High resolution limit [Å]	1.460	1.460
Rmerge		0.150
Number of reflections	91234	9043
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	6.4
CC(1/2)	0.999	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.2 M MgCl2, 0.1 M Tris-HCl pH 8.5, and 25% PEG3350