3UZV

Crystal structure of the dengue virus serotype 2 envelope protein domain III in complex with the variable domains of Mab 4E11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2008-06-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0721
Spacegroup name	P 41 21 2
Unit cell lengths	60.460, 60.460, 207.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.520 - 2.100
R-factor	0.2061
Rwork	0.206
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uzq 1oan
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.9.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.046	0.564
Number of reflections	22893
<I/σ(I)>	23.5	3.3
Completeness [%]	98.3	97.5
Redundancy	8.1	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	JBS Classic 8 solution D1 (30% ethanol, 12% PEG 6K and 0.1M sodium acetate) diluted 70% in H20, pH 6.5, vapor diffusion, sitting drop, temperature 292K