3UZE

Crystal structure of the dengue virus serotype 3 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 1 21 1
Unit cell lengths	54.055, 74.670, 86.888
Unit cell angles	90.00, 104.49, 90.00

Refinement procedure

Resolution	40.800 - 2.040
R-factor	0.2185
Rwork	0.218
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uzg 3uzq
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.9.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.857	42.857	2.150
High resolution limit [Å]	2.037	6.440	2.040
Rmerge		0.043	0.444
Total number of observations		5108	11687
Number of reflections	40602
<I/σ(I)>	10.8	12.7	1.7
Completeness [%]	94.8	95.9	76
Redundancy	3.5	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	20% PEG 8000, 0.1M HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 292K