6N16

Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 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	2018-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	73.497, 84.204, 84.572
Unit cell angles	89.88, 111.43, 104.48

Refinement procedure

Resolution	43.072 - 2.302
R-factor	0.2243
Rwork	0.222
R-free	0.27400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.080	0.029	0.330
Rmeas	0.113	0.041	0.467
Rpim	0.080	0.029	0.330
Total number of observations	126153
Number of reflections	68478	3549	3650
<I/σ(I)>	5.6
Completeness [%]	85.2	88.3	90.7
Redundancy	1.8	1.9	1.9
CC(1/2)		0.996	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M Lithium sulfate monohydrate, 0.1 M Citric acid pH 3.5, 18% w/v Polyethylene glycol 6,000