6FY1

Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a scaffolded autologous V1V2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	81.991, 73.987, 191.034
Unit cell angles	90.00, 91.98, 90.00

Refinement procedure

Resolution	40.971 - 3.132
R-factor	0.2259
Rwork	0.221
R-free	0.27070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1200009079
RMSD bond length	0.004
RMSD bond angle	0.681
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	3.270
High resolution limit [Å]	3.210	3.210
Rmerge	0.156	0.791
Rpim	0.098	0.500
Number of reflections	19842
<I/σ(I)>	6.8	2
Completeness [%]	89.7	89.4
Redundancy	3.2	3.2
CC(1/2)	0.936	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298.15	0.1 M Tris HCl (pH8.5), 5% PEG4000, 2 M sodium chloride, 10% butanol, and cryoprotected in 25% 2,3-Butanediol