5KON

Protruding domain of GII.4 human norovirus isolate 08-14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979744
Spacegroup name	P 1 21 1
Unit cell lengths	63.640, 55.270, 86.810
Unit cell angles	90.00, 99.56, 90.00

Refinement procedure

Resolution	42.802 - 1.510
R-factor	0.1286
Rwork	0.126
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oos
RMSD bond length	0.011
RMSD bond angle	1.370
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.802		1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.070	0.021	0.513
Number of reflections	94115
<I/σ(I)>	12.84	30.93	2.36
Completeness [%]	98.9	97.7	92.6
Redundancy	3.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	PEG6000, 0.1 M MES