8V9A

GII.NA1 Loreto 1257 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	2023-04-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	62.704, 71.156, 78.386
Unit cell angles	90.00, 110.04, 90.00

Refinement procedure

Resolution	45.380 - 1.670
R-factor	0.1865
Rwork	0.185
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.035
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]	45.380	1.690
High resolution limit [Å]	1.670	1.670
Rmerge	0.135	1.309
Rmeas	0.153	1.481
Rpim	0.071	0.683
Total number of observations	344784	15533
Number of reflections	75438	3505
<I/σ(I)>	6.3	0.8
Completeness [%]	99.5
Redundancy	4.6	4.4
CC(1/2)	0.995	0.453

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Magnesium chloride hexahydrate 0.1 M Tris (Ph 7.0) 10% w/v PEG 8000