4ODH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	85.456, 81.194, 69.193
Unit cell angles	90.00, 123.95, 90.00

Refinement procedure

Resolution	33.144 - 2.894
R-factor	0.2251
Rwork	0.224
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u2s
RMSD bond length	0.004
RMSD bond angle	0.829
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.894	6.240	2.894
Rmerge	0.110		0.368
Number of reflections	7503
<I/σ(I)>	5.9		1.8
Completeness [%]	85.7	81.4	82.8
Redundancy	2.3		2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	27% PEG8000, 0.1 M HEPES, pH 7.5, cryoprotectant: 20% PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 293K