3PUN

Crystal structure of P domain dimer of Norovirus VA207 with Lewis y tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.168, 96.123, 101.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.806 - 2.050
R-factor	0.1857
Rwork	0.185
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pum
RMSD bond length	0.008
RMSD bond angle	1.069
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.120
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.076	0.043	0.530
Number of reflections	42294
<I/σ(I)>	15.8
Completeness [%]	99.9	98.9	100
Redundancy	6.4	6.3	6

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