5IYW

Protruding domain of GII.4 human norovirus CHDC2094 in complex with 3-fucosyllactose (3FL)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97625
Spacegroup name	I 2 2 2
Unit cell lengths	90.450, 107.110, 136.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.669 - 1.410
R-factor	0.1411
Rwork	0.140
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iyn
RMSD bond length	0.008
RMSD bond angle	1.221
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]	43.670		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.090	0.037	0.865
Number of reflections	128031
<I/σ(I)>	9.13	28.73	1.41
Completeness [%]	98.5	98	94
Redundancy	4.6
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	Sodium citrate, PEG3350