5J35

Protruding domain of GII.4 human norovirus NSW0514 in complex with 2-fucosyllactose (2'FL)

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	2015-09-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.87260
Spacegroup name	C 1 2 1
Unit cell lengths	99.450, 55.730, 115.750
Unit cell angles	90.00, 107.17, 90.00

Refinement procedure

Resolution	46.711 - 1.470
R-factor	0.1645
Rwork	0.163
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.009
RMSD bond angle	1.308
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.711		1.260
High resolution limit [Å]	1.230	5.500	1.230
Rmerge	0.052	0.025	0.500
Number of reflections	172603
<I/σ(I)>	6.83	15.38	1.88
Completeness [%]	98.2	97.3	93.6
Redundancy	2.9
CC(1/2)	0.999

Crystallization Conditions

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