8V97

GII.17 CS-E1 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	62.333, 72.025, 81.870
Unit cell angles	90.00, 111.02, 90.00

Refinement procedure

Resolution	45.260 - 1.270
R-factor	0.1623
Rwork	0.162
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.834
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]	45.260	1.290
High resolution limit [Å]	1.270	1.270
Rmerge	0.053	0.312
Rmeas	0.059	0.349
Rpim	0.025	0.152
Total number of observations	934353	41548
Number of reflections	177052	8244
<I/σ(I)>	12.8	3
Completeness [%]	99.7
Redundancy	5.3	5
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M TMAO 0.1 M Tris (pH 8.5) 50% w/v PEG 2000 MME