4X7E

Crystal structure of norovirus GII.10 P domain in complex with Nano-85

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	2014-03-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.973
Spacegroup name	P 1 21 1
Unit cell lengths	51.940, 133.100, 67.570
Unit cell angles	90.00, 112.54, 90.00

Refinement procedure

Resolution	47.970 - 2.110
R-factor	0.1901
Rwork	0.189
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ONU was used for GII.10 P domain (molecule 1) and recently deposited PDB entry 4X7F for Nano-85 (molecule 2)
RMSD bond length	0.002
RMSD bond angle	0.701
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]	47.970		2.170
High resolution limit [Å]	2.110	9.440	2.110
Rmerge	0.073	0.022	0.471
Rmeas	0.090	0.026	0.575
Total number of observations	134998
Number of reflections	46632	527	3286
<I/σ(I)>	11.63	41.92	2.24
Completeness [%]	95.7	91.3	90.8
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	calcium acetate, PEG8000, sodium cacodylate