3ASS

Crystal structure of P domain from Norovirus Funabashi258 stain in the complex with Lewis-b

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2008-11-10
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 31
Unit cell lengths	74.690, 74.690, 106.973
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.230 - 1.600
R-factor	0.18565
Rwork	0.185
R-free	0.20171
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3asr
RMSD bond length	0.007
RMSD bond angle	1.075
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.043	0.032	0.238
Number of reflections	88432
<I/σ(I)>	25.5
Completeness [%]	99.9	97.6	100
Redundancy	11.2	10.8	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	4.6	298	PEG 6000, hexanediol, pH 4.6, hanging drop, temperature 298K