4OCR

Crystal structure of human Fab CAP256-VRC26.01, 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	2013-06-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	104.398, 71.165, 82.880
Unit cell angles	90.00, 93.34, 90.00

Refinement procedure

Resolution	34.365 - 1.895
R-factor	0.1812
Rwork	0.180
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4e
RMSD bond length	0.008
RMSD bond angle	1.259
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	1.930
High resolution limit [Å]	1.895	5.160	1.895
Rmerge	0.077	0.035	0.537
Number of reflections	48063
<I/σ(I)>	16.3	32.7	2.1
Completeness [%]	100.0	99.5	99.8
Redundancy	3.7	3.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	32% PEG400, 4% PEG3350, 0.1 M sodium acetate, pH 5.5, cryoprotectant: 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K