6H6L

Murine norovirus protruding domain (CW3 strain) in complex with the CD300lf receptor and glycochenodeoxycholate (GCDCA)

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	2017-11-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.072270
Spacegroup name	P 41
Unit cell lengths	87.000, 87.000, 276.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.710 - 2.500
R-factor	0.1906
Rwork	0.189
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5or7
RMSD bond length	0.004
RMSD bond angle	0.664
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]	46.710	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.103	0.810
Rmeas	0.112	0.878
Rpim	0.042	0.334
Number of reflections	70179	6850
<I/σ(I)>	14.68	2.46
Completeness [%]	99.7	98.05
Redundancy	6.9
CC(1/2)	0.998	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris.HCl pH 8.5, 25 %(v/v) PEG 550 MME