5N7M

Protruding domain of GI.1 norovirus in complex with 2-fucosyllactose (2FL)

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	PIXEL
Collection date	2016-09-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96770
Spacegroup name	P 31 2 1
Unit cell lengths	84.070, 84.070, 165.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.906 - 1.730
R-factor	0.1619
Rwork	0.160
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3by1
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.906	43.906	1.830
High resolution limit [Å]	1.730	5.150	1.730
Rmerge	0.080	0.036	0.778
Rmeas	0.086	0.040	0.835
Number of reflections	71336	2947	11101
<I/σ(I)>	15.88	44.4	2.12
Completeness [%]	99.5	99.6	97.1
Redundancy	7.355	6.969	7.521
CC(1/2)	0.999	0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	291	0.1 M phosphate citrate, 0.2 M NaCl, 20% PEG8000