6WX2

Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with F60P mutation on light chain 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	2019-10-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	73.246, 111.697, 123.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.650 - 2.390
R-factor	0.2027
Rwork	0.200
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cdo
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18_3861)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.390	6.510	2.400
Rmerge	0.155	0.073	0.806
Rmeas	0.162	0.076	0.852
Rpim	0.048	0.022	0.269
Number of reflections	39911	2156	1947
<I/σ(I)>	6.4
Completeness [%]	99.6	98.8	99.5
Redundancy	11	11.2	9.5
CC(1/2)		0.998	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	9.9% v/v isopropanol, 0.1 M Tris-HCl, pH 8.5, 9.9% v/v PEG3350