3DRT

Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671

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	2008-06-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	64.200, 76.400, 93.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.810 - 3.300
R-factor	0.203
Rwork	0.203
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d0l
RMSD bond length	0.009
RMSD bond angle	1.800
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	3.510
High resolution limit [Å]	3.300	3.300
Rmerge	0.265	0.497
Number of reflections	6826
Completeness [%]	94.0	89.6
Redundancy	8.3	8.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Crystals were grown in reservoir solution containing 0.1 M Na citrate pH 5.6, 16% 2-propanol, 16% PEG 4K, 0.01% Tween-20, VAPOR DIFFUSION, HANGING DROP, temperature 293K