4RWY

Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2012-02-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	66.250, 67.137, 214.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.837 - 2.128
R-factor	0.2207
Rwork	0.219
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.390	2.160
High resolution limit [Å]	2.120	2.330	2.120
Rmerge	0.078	0.315	0.427
Number of reflections	43335
<I/σ(I)>	17.3	3.02	1.74
Completeness [%]	72.8	48.6	17.3
Redundancy	6.2	4.3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	6% w/v PEG 3000, 0.1 M HEPES pH 7.5, 0.2M NaCl, 4% v/v 2,2,2 Trifluoroethanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K