7ER1

Crystal structure of capsid P domain of norovirus GI.3 VA115 complexed with Gala1-3Galb1-4Glc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-09
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	57.290, 59.637, 91.419
Unit cell angles	102.28, 96.72, 109.77

Refinement procedure

Resolution	41.290 - 2.200
R-factor	0.1802
Rwork	0.178
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7er0
RMSD bond length	0.005
RMSD bond angle	1.321
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.081	0.047	0.161
Rmeas	0.092	0.053	0.186
Rpim	0.042	0.024	0.091
Total number of observations	236380
Number of reflections	52013	2713	1999
<I/σ(I)>	11
Completeness [%]	94.5	99	73.4
Redundancy	4.5	4.8	3.6
CC(1/2)		0.997	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.2M Sodium formate pH 6.4, 17% (w/v) Polyethylene glycol 3350