6FY0

Crystal structure of a V2-directed, RV144 vaccine-like antibody from HIV-1 infection, CAP228-16H, bound to a heterologous V2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.299, 104.265, 212.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.570
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hqq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.610
High resolution limit [Å]	2.500	2.500
Rpim	0.068	0.263
Number of reflections	28958	1701
<I/σ(I)>	10	2
Completeness [%]	91.3	60.8
Redundancy	5.1	2.5
CC(1/2)	0.987	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	298.15	20% PEG8000, 200mM sodium chloride, 100mM sodium phosphate-citrate (pH4.2), 160mM ammonium sulphate, 8% 2-Methyl-2,4-pentanediol (25% 2-Methyl-2,4-pentanediol for cryoprotection)