6X7W

Vaccine-elicited mouse FP-targeting neutralizing antibody vFP49.02 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	2019-11-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	69.881, 99.229, 137.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.940 - 1.700
R-factor	0.2161
Rwork	0.214
R-free	0.24830
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_3845)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.106	0.059	0.977
Rmeas	0.118	0.066	1.063
Rpim	0.051	0.029	0.412
Total number of observations	622325
Number of reflections	102556	5444	5178
<I/σ(I)>	5.8
Completeness [%]	97.6	97.1	99.8
Redundancy	6.1	5.4	6.6
CC(1/2)		0.996	0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.2 M ammonium sulfate , 0.1 M HEPES, pH 7.5, 20% w/v PEG8000, 10% w/v isopropanol