4OD3

Crystal structure of human Fab CAP256-VRC26.07, a potent V1V2-directed HIV-1 neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	70.550, 87.268, 224.351
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.904 - 2.616
R-factor	0.2222
Rwork	0.221
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u2s
RMSD bond length	0.005
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	40.000	2.640
High resolution limit [Å]	2.616	7.050	2.616
Rmerge	0.130
Number of reflections	19943
<I/σ(I)>	12.5	12.9	1.6
Completeness [%]	93.9	99.8	53
Redundancy		6.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	4% PEG8000, 0.1 M zinc acetate, 0.1 M MES, pH 6, cryoprotectant: 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K