6XW7

Crystal structure of murine norovirus P domain in complex with Nanobody NB-5829 and 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	2018-05-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978560
Spacegroup name	C 1 2 1
Unit cell lengths	190.730, 124.930, 113.130
Unit cell angles	90.00, 125.30, 90.00

Refinement procedure

Resolution	49.210 - 2.150
R-factor	0.1736
Rwork	0.171
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lq6
RMSD bond length	0.009
RMSD bond angle	1.596
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.210	49.210	2.200
High resolution limit [Å]	2.150	9.600	2.150
Rmerge	0.096	0.034	0.732
Rmeas	0.104	0.037	0.795
Total number of observations	789862
Number of reflections	114707	1351	7884
<I/σ(I)>	14.36	47.79	2.39
Completeness [%]	96.9	97.5	90.5
Redundancy	6.886	6.03	6.536
CC(1/2)	0.998	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Sodium chloride, 0.1M Phosphate-citrate pH 4.2, 20% PEG8000