4YBL

Crystal structure of the stabilized inner domain of clade A/E HIV-1 gp120 in complex with the ADCC mediating ANTI-HIV-1 antibody A32

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.12789
Spacegroup name	P 21 21 2
Unit cell lengths	75.742, 208.209, 73.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.2346
Rwork	0.232
R-free	0.28937
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3TNM and 4RQH
RMSD bond length	0.010
RMSD bond angle	1.527
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Rmerge	0.186	0.955
Number of reflections	19959
<I/σ(I)>	14.6	1.3
Completeness [%]	93.2	96.8
Redundancy	8.3	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	18-22% PEG 6000 or 8000 0.1 M Tris-HCl pH 8.5
2
3