9EDP

GVIII-Chiba040502 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	2023-12-02
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.95372
Spacegroup name	P 31 2 1
Unit cell lengths	107.241, 107.241, 61.577
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.440 - 1.760
R-factor	0.1415
Rwork	0.140
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.821
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]	46.440	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.104	0.992
Rmeas	0.108	1.030
Rpim	0.029	0.273
Total number of observations	563727	31242
Number of reflections	40834	2291
<I/σ(I)>	15.4	2.2
Completeness [%]	99.9
Redundancy	13.8	13.6
CC(1/2)	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M Bis-Tris (pH 5.5), 25% w/v PEG 3350