3UYP

Crystal structure of the dengue virus serotype 4 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	2008-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	106.600, 155.880, 55.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.000
R-factor	0.1821
Rwork	0.181
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h0p 3uzq
RMSD bond length	0.007
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.9.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.193	47.193	2.110
High resolution limit [Å]	1.999	6.320	2.000
Rmerge	0.068	0.032	0.441
Total number of observations		6872	30227
Number of reflections	31933
<I/σ(I)>	18.5	17.7	1.7
Completeness [%]	99.8	99.9	98.7
Redundancy	6.6	6.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	1.7M ammonium sulphate, 12.5% glycerol, 0.1M TRIS-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K