3DRQ

Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 FP-MPER Hyb3K construct 514GIGALFLGFLGAAGS528KK-Ahx-655KNEQELLELDKWASLWN671 soaked in PEG/2-propanol solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-08-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	63.500, 76.600, 94.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.000
R-factor	0.227
Rwork	0.227
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d0l
RMSD bond length	0.008
RMSD bond angle	1.700
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.110
High resolution limit [Å]	2.000	1.990
Rmerge	0.098	0.454
Number of reflections	31016
Completeness [%]	97.9	96.1
Redundancy	3.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Crystals grown in 0.1 M Nacitrate pH 5.6, 1.6 M ammonium sulfate, 0.01% Tween-20 and soaked for 36h in 0.1 M Nacitrate pH 5.6, 16% PEG 4K, 16% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K