3DRO

Crystal structure of the HIV-1 Cross Neutralizing Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN grown in ammonium sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-06-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	63.900, 76.500, 93.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.960 - 3.900
R-factor	0.222
Rwork	0.222
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p8m
RMSD bond length	0.010
RMSD bond angle	2.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	4.140
High resolution limit [Å]	3.900	3.900
Rmerge	0.282	0.514
Number of reflections	4156
Completeness [%]	93.7	90.9
Redundancy	6.01	5.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Fab fragment and peptide are incubated in a solution containing 0.01% Tween-20. Crystals are obatined from reservoir solution containing 0.1 M Nacitrate pH 5.6, 1.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K