3PVD

Crystal structure of P domain dimer of Norovirus VA207 complexed with 3'-sialyl-Lewis x tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	67.301, 96.000, 101.631
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.056 - 1.900
R-factor	0.1879
Rwork	0.186
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pum
RMSD bond length	0.008
RMSD bond angle	1.146
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.066	0.064	0.436
Number of reflections	51836
<I/σ(I)>	15.7
Completeness [%]	98.6	96.4	94.8
Redundancy	5.1	5.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	289	10% (w/v) PEG 3350, 50mM magnesium formate , pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 289K