4X7F

Crystal structure of norovirus GII.10 P domain in complex with Nano-25

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.984
Spacegroup name	P 21 21 21
Unit cell lengths	49.280, 112.980, 142.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.587 - 1.700
R-factor	0.1612
Rwork	0.160
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	As search models for molecular replacement PDB code 3ONU was used for GII.10 P domain (molecule 1) and PDB code 3P0G for Nano-25 (molecule 2)
RMSD bond length	0.010
RMSD bond angle	1.191
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.590		1.800
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.056	0.031	0.355
Rmeas	0.067	0.038	0.487
Total number of observations	412753
Number of reflections	88133	1891	11178
<I/σ(I)>	14.33	20.82	2.58
Completeness [%]	99.1	98.4	96.8
Redundancy	4.7		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG3350, ammonium dihydrogen phosphate