6P60

Vaccine-elicited NHP FP-targeting neutralizing antibody A12V163-a.02 in complex with HIV fusion peptide (residue 512-519)

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	PIXEL
Collection date	2017-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	77.784, 72.199, 185.526
Unit cell angles	90.00, 96.63, 90.00

Refinement procedure

Resolution	41.746 - 2.498
R-factor	0.1971
Rwork	0.197
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.094	0.033	0.486
Rmeas	0.111	0.039	0.574
Rpim	0.058	0.020	0.301
Total number of observations	249782
Number of reflections	69828	3700	3333
<I/σ(I)>	7.1
Completeness [%]	98.4	99.5	95.9
Redundancy	3.6	3.6	3.3
CC(1/2)		0.998	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15M AMSO4, 0.1 M acetate pH 4.5 25.5% w/v PEG 4000