3UC0

Crystal structure of domain I of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	78.937, 113.864, 169.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.175 - 2.710
R-factor	0.2219
Rwork	0.220
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uaj
RMSD bond length	0.007
RMSD bond angle	0.970
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]	46.175	46.175	2.860
High resolution limit [Å]	2.710	8.570	2.710
Rmerge		0.034	0.429
Total number of observations		5869	11882
Number of reflections	41316
<I/σ(I)>	11.3	15.8	1.8
Completeness [%]	97.7	97.9	86.4
Redundancy	4.1	4.1	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 292K