5N0A

Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	173
Detector technology	PIXEL
Collection date	2015-03-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.984
Spacegroup name	P 2 21 21
Unit cell lengths	58.774, 182.301, 208.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.900
R-factor	0.2861
Rwork	0.285
R-free	0.30000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4UTA;4UT7
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.100
High resolution limit [Å]	3.900	3.900
Rmerge	0.316	0.800
Rmeas	0.410
Rpim	0.257	0.670
Number of reflections	19112	4789
<I/σ(I)>	3.1	1.4
Completeness [%]	96.9	97.5
Redundancy	3.8	3.8
CC(1/2)		0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100mM Hepes pH 7.5, 19% PEG 6K, 1.5% (v/v) 2-methyl-2,4-pentanediol