6XW6

Crystal structure of murine norovirus P domain in complex with Nanobody NB-5853

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-16
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 1 21 1
Unit cell lengths	72.690, 85.290, 77.970
Unit cell angles	90.00, 113.47, 90.00

Refinement procedure

Resolution	38.580 - 1.960
R-factor	0.2015
Rwork	0.199
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lq6
RMSD bond length	0.008
RMSD bond angle	1.548
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.580	38.580	2.010
High resolution limit [Å]	1.960	8.770	1.960
Rmerge	0.143	0.059	0.743
Rmeas	0.155	0.065	0.808
Total number of observations	399232
Number of reflections	61772	735	4473
<I/σ(I)>	8.97	22.43	2.25
Completeness [%]	98.5	97.9	97
Redundancy	6.463	6.026	6.437
CC(1/2)	0.994	0.996	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M Lithium sulfate 0.1 M Sodium acetate pH 4.5 30%(w/v) PEG 8000