6GW1

GII.10 human norovirus protruding domain in complex with glycochenodeoxycholate (GCDCA)

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	2017-09-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972640
Spacegroup name	P 21 21 2
Unit cell lengths	107.850, 79.670, 87.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.930 - 1.900
R-factor	0.1667
Rwork	0.165
R-free	0.18990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.005
RMSD bond angle	0.750
Data reduction software	XDS (VERSION Nov 1, 2016)
Data scaling software	XSCALE (VERSION Nov 1, 2016)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.930	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.067	0.655
Rmeas	0.072	0.716
Rpim	0.028	0.284
Number of reflections	60120	5732
<I/σ(I)>	16.89	2.49
Completeness [%]	99.4	96.4
Redundancy	6.4	6.2
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0,1M Magnesium acetate tetrahydrate 0,1M Sodium citrate pH 5.8 14% w/v PEG 5000 MME