8V98

GII.24 Loreto 1972 norovirus protruding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	60.751, 80.821, 70.983
Unit cell angles	90.00, 113.62, 90.00

Refinement procedure

Resolution	45.840 - 1.740
R-factor	0.1618
Rwork	0.160
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.840	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.062	0.194
Rmeas	0.076	0.239
Rpim	0.043	0.136
Total number of observations	189441	10036
Number of reflections	63621	3390
<I/σ(I)>	12.1	4.3
Completeness [%]	98.8
Redundancy	3	3
CC(1/2)	0.992	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	M Zinc sulfate heptahydrate M MES (pH 6.5) 25% v/v PEG 550 MME