5LFE

Protruding domain of GII.4 human norovirus isolate 8-14 in complex with HBGA type B (triglycan)

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	2014-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9650
Spacegroup name	P 1 21 1
Unit cell lengths	63.830, 55.420, 87.100
Unit cell angles	90.00, 99.38, 90.00

Refinement procedure

Resolution	46.575 - 2.300
R-factor	0.2347
Rwork	0.233
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.004
RMSD bond angle	0.881
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]	46.580		2.330
High resolution limit [Å]	2.270	10.140	2.270
Rmerge	0.121	0.039	0.704
Number of reflections	26503
<I/σ(I)>	7.32	15.17	1.86
Completeness [%]	93.9	99.1	83.8
Redundancy	3.2
CC(1/2)	0.989	0.999	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	PEG6000, 0.1 M MES