3D0V

Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LLELDKWASLW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-07-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	58.200, 64.600, 177.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 2.050
R-factor	0.218
Rwork	0.218
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f5b
RMSD bond length	0.008
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.180
High resolution limit [Å]	2.030	2.050
Number of reflections	42170
Completeness [%]	95.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M sodium acetate, pH 5.6, 20% 2-propanol, 16-20% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K