4XMK

Crystal structure of Fab of HIV-1 gp120 V3-specific human monoclonal antibody 2424 in complex with JR-FL V3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 2 21 21
Unit cell lengths	94.952, 122.254, 140.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.282 - 3.179
R-factor	0.2277
Rwork	0.225
R-free	0.28320
RMSD bond length	0.009
RMSD bond angle	1.183
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.370
High resolution limit [Å]	3.179	3.180
Number of reflections	53260
<I/σ(I)>	11.6
Completeness [%]	99.9	99.9
Redundancy	14.7	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	PEG 4000, Li2SO4, Tris, glycerol