5J3O

Protruding domain of GII.4 human norovirus NSW0514 in complex with 3-fucosyllactose (3FL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96770
Spacegroup name	C 1 2 1
Unit cell lengths	99.070, 55.570, 115.510
Unit cell angles	90.00, 107.28, 90.00

Refinement procedure

Resolution	42.716 - 1.470
R-factor	0.173
Rwork	0.172
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.007
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.720		1.350
High resolution limit [Å]	1.320	5.890	1.320
Rmerge	0.092	0.060	0.365
Number of reflections	137290
<I/σ(I)>	8.17	16.16	2.26
Completeness [%]	97.0	99.2	69.9
Redundancy	3.9
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, Sodium formate