7EQT

Crystal structure of capsid P domain of norovirus GI.3 DSV 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	2020-11-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	63.628, 101.048, 104.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.850 - 2.050
R-factor	0.1812
Rwork	0.179
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7eqs
RMSD bond length	0.004
RMSD bond angle	1.258
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	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.121	0.065	0.465
Rmeas	0.127	0.068	0.544
Rpim	0.038	0.020	0.272
Total number of observations	445899
Number of reflections	42161	2335	1719
<I/σ(I)>	6
Completeness [%]	98.0	99.6	81.7
Redundancy	10.6	11.6	3.4
CC(1/2)		0.990	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15.5% (w/v) polyethylene glycol 3350, 0.2M Sodium tartrate dibasic dihydrate