5LKG

Protruding domain of GII.17 norovirus Kawasaki308 in complex with 2-fucosyllactose (2'FL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97242
Spacegroup name	P 21 21 21
Unit cell lengths	76.200, 86.680, 97.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.298 - 1.510
R-factor	0.1653
Rwork	0.163
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fmo
RMSD bond length	0.009
RMSD bond angle	1.243
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.298		1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.073	0.041	0.792
Number of reflections	101935
<I/σ(I)>	11.98	27.12	2.25
Completeness [%]	98.3	99.3	95
Redundancy	5.5
CC(1/2)	0.998	0.995	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	Magnesium Chloride, PEG8000, Tris-HCl