3WE1

Crystal structure of Dengue 4 Envelope protein domain III (ED3)

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]	195
Detector technology	CCD
Collection date	2012-01-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	91.380, 91.380, 73.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.967 - 2.278
R-factor	0.2669
Rwork	0.266
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3auj
RMSD bond length	0.008
RMSD bond angle	1.132
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	2.270
Rmerge	0.064
Number of reflections	14490
<I/σ(I)>	29.07
Completeness [%]	100.0
Redundancy	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	30.0% PEG 3350, 0.2M Ammonium sulphate, 0.1M Tris-HCl pH 8.5, 1% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 277K