5V6L

Crystal Structure of Rabbit Anti-HIV-1 gp120 V3 Fab 10A37 in complex with V3 peptide JR-FL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1.100000
Spacegroup name	P 1 21 1
Unit cell lengths	43.234, 173.904, 70.912
Unit cell angles	90.00, 99.98, 90.00

Refinement procedure

Resolution	44.000 - 2.549
R-factor	0.2084
Rwork	0.206
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jo1
RMSD bond length	0.008
RMSD bond angle	1.049
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.440
High resolution limit [Å]	2.549	2.298
Number of reflections	33285	6977
<I/σ(I)>	15.6	3.8
Completeness [%]	99.5	99.5
Redundancy	5.1	5.1
CC(1/2)	0.996	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	18% polyethylene glycol 4000, 8.5% Isopropanol, 0.1 M HEPES pH 7.5, 15% glycerol