4OD1

Crystal structure of human Fab CAP256-VRC26.03, 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	2013-02-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	99.023, 70.773, 87.539
Unit cell angles	90.00, 116.69, 90.00

Refinement procedure

Resolution	40.140 - 2.690
R-factor	0.2053
Rwork	0.203
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4e
RMSD bond length	0.003
RMSD bond angle	0.805
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	2.750
High resolution limit [Å]	2.690	7.320	2.690
Rmerge	0.150	0.067	0.440
Number of reflections	13074
<I/σ(I)>	6.9	14	1.8
Completeness [%]	88.4	99.7	50.1
Redundancy	2.9	3.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	22% PEG8000, 5% MPD, 0.1 M imidazole, cryoprotectant: 20% xylitol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K