6XW4

Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867

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	2018-05-13
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	75.330, 109.040, 146.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.380 - 2.190
R-factor	0.1756
Rwork	0.173
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lq6
RMSD bond length	0.010
RMSD bond angle	1.618
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]	47.380	47.380	2.250
High resolution limit [Å]	2.190	9.810	2.190
Rmerge	0.138	0.064	0.753
Rmeas	0.150	0.072	0.821
Total number of observations	404860
Number of reflections	62254	786	4206
<I/σ(I)>	10.11	25	2.56
Completeness [%]	99.4	98.1	92.5
Redundancy	6.503	5.197	6.239
CC(1/2)	0.996	0.995	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.0 M Lithium chloride 0.1 M Citric acid pH 5.0 20%(w/v) PEG 6000