5F9W

Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	123.429, 123.429, 127.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.935 - 2.891
R-factor	0.1825
Rwork	0.180
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rwy
RMSD bond length	0.002
RMSD bond angle	0.638
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1965)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.935	3.000
High resolution limit [Å]	2.890	2.890
Rmerge	0.170	0.650
Number of reflections	48335
<I/σ(I)>	8.1	1.9
Completeness [%]	98.5	99.2
Redundancy	2.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	25% (w/v) of PEG2000, 0.2 M of Li2SO4, 0.1 M of Tris-HCl pH 8.5 and 5% (v/v) of isopropanol