6X78

Vaccine-elicited mouse FP-targeting neutralizing antibody vFP48.03 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	2019-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	81.993, 92.733, 143.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.937 - 2.359
R-factor	0.1802
Rwork	0.178
R-free	0.22600
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 (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.400
High resolution limit [Å]	2.359	6.400	2.360
Rmerge	0.145	0.049	0.746
Rmeas	0.157	0.054	0.817
Rpim	0.061	0.021	0.327
Number of reflections	45627	2479	2243
<I/σ(I)>	5.5
Completeness [%]	99.7	99.5	100
Redundancy	6.6	6.1	6.1
CC(1/2)		0.998	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.1 M Tris, pH 8.5, 25% w/v PEG3350