6H70

GI.1 human norovirus protruding domain in complex with Nano-62 and 2-fucosyllactose (2FL)

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	PIXEL
Collection date	2016-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976250
Spacegroup name	C 1 2 1
Unit cell lengths	172.170, 89.210, 62.150
Unit cell angles	90.00, 106.92, 90.00

Refinement procedure

Resolution	46.760 - 1.830
R-factor	0.1632
Rwork	0.162
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zl5
RMSD bond length	0.007
RMSD bond angle	0.855
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	1.890
High resolution limit [Å]	1.830	1.830
Rmerge	0.050	0.423
Rmeas	0.061	0.518
Rpim	0.035	0.294
Number of reflections	76837	7591
<I/σ(I)>	12.27	1.99
Completeness [%]	96.7	96.33
Redundancy	2.6	2.6
CC(1/2)	0.998	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M sodium citrate (pH 5.5) and 20% (w/v) PEG3000