9EDM

GII.9-VA97207 norovirus protruding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 2
Unit cell lengths	94.190, 96.890, 65.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.130 - 1.980
R-factor	0.1668
Rwork	0.165
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER (9.0.002)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	2.020
High resolution limit [Å]	1.980	1.980
Rmerge	0.229	1.791
Rmeas	0.241	1.877
Rpim	0.071	0.554
Total number of observations		30735
Number of reflections	42579	2810
<I/σ(I)>	8.5	1.1
Completeness [%]	99.3
Redundancy	11.2	10.9
CC(1/2)	0.996	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M HEPES (pH 7.0), 30% v/v Jeffamine ED-2003