7ER0

Crystal structure of capsid P domain of norovirus GI.3 VA115

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	58.275, 60.001, 92.368
Unit cell angles	101.89, 97.73, 110.10

Refinement procedure

Resolution	41.780 - 2.183
R-factor	0.188
Rwork	0.186
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p25
RMSD bond length	0.005
RMSD bond angle	1.325
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]	2.183	5.970	2.200
Rmerge	0.076	0.039	0.354
Rmeas	0.085	0.043	0.408
Rpim	0.036	0.018	0.198
Number of reflections	54367	2867	1950
<I/σ(I)>	15.5
Completeness [%]	94.1	99.2	67.9
Redundancy	5.4	5.8	3.7
CC(1/2)		0.999	0.951

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