4H8W

Crystal structure of non-neutralizing and ADCC-potent antibody N5-i5 in complex with HIV-1 clade A/E gp120 and sCD4.

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	2012-05-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	92.251, 103.909, 134.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.240 - 1.850
R-factor	0.184
Rwork	0.182
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3TGT 3tnn 1gm9
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.240	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.064	0.831
Number of reflections	110501
<I/σ(I)>	45	2.9
Completeness [%]	99.9	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	11-13% PEG 8000, 100 mM Tris-HCl pH 8.5, 65 mM sodium chloride added to well after mixing drop, VAPOR DIFFUSION, HANGING DROP, temperature 295K