6H6Y

GI.1 human norovirus protruding domain in complex with Nano-7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.973720
Spacegroup name	P 1 21 1
Unit cell lengths	59.170, 140.900, 92.150
Unit cell angles	90.00, 91.81, 90.00

Refinement procedure

Resolution	47.535 - 1.580
R-factor	0.1556
Rwork	0.155
R-free	0.17480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zl5
RMSD bond length	0.004
RMSD bond angle	0.807
Data reduction software	XDS (VERSION Jun 1, 2017)
Data scaling software	XSCALE (VERSION Jun 1, 2017)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.540	1.630
High resolution limit [Å]	1.580	1.580
Rmerge	0.055	0.474
Rmeas	0.066	0.567
Rpim	0.035	0.307
Number of reflections	201459	19534
<I/σ(I)>	11.7	2.05
Completeness [%]	97.6	94.62
Redundancy	3.4	3.3
CC(1/2)	0.998	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.17 M ammonium acetate, 0.085 M sodium citrate (pH 5.6), 15% (v/v) glycerol and 25.5% (w/v) PEG4000