4OCS

Crystal structure of human Fab CAP256-VRC26.10, 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	P 21 21 21
Unit cell lengths	43.389, 46.188, 232.526
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.771 - 1.901
R-factor	0.2117
Rwork	0.210
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4e
RMSD bond length	0.005
RMSD bond angle	0.957
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	1.940
High resolution limit [Å]	1.901	5.180	1.901
Rmerge	0.130	0.075	0.463
Number of reflections	24746
<I/σ(I)>	8.4	11.7	2.5
Completeness [%]	65.2	88.7	49.3
Redundancy	4.1	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	22% PEG4000, 0.4 M sodium acetate, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K