6H71

GI.1 human norovirus protruding domain in complex with Nano-94

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978950
Spacegroup name	C 1 2 1
Unit cell lengths	94.890, 111.060, 122.460
Unit cell angles	90.00, 99.81, 90.00

Refinement procedure

Resolution	49.400 - 2.313
R-factor	0.1937
Rwork	0.193
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zl5
RMSD bond length	0.002
RMSD bond angle	0.620
Data reduction software	XDS (VERSION Nov 1, 2016)
Data scaling software	XSCALE (VERSION Nov 1, 2016)
Phasing software	PHASER (VERSION Nov 1, 2016)
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.400
High resolution limit [Å]	2.310	2.310
Rmerge	0.050	0.543
Rmeas	0.061	0.656
Rpim	0.034	0.362
Number of reflections	53187	5051
<I/σ(I)>	14.21	2.08
Completeness [%]	97.2	92.74
Redundancy	2.9	2.9
CC(1/2)	0.999	0.874

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