6WWC

Vaccine-elicited mouse FP-targeting neutralizing antibody vFP16.02 with S48K mutation in 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 1 21 1
Unit cell lengths	68.628, 70.526, 93.292
Unit cell angles	90.00, 94.79, 90.00

Refinement procedure

Resolution	35.263 - 2.563
R-factor	0.2117
Rwork	0.209
R-free	0.26650
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 (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.500	7.050	2.600
Rmerge	0.124	0.045	0.438
Rmeas	0.150	0.054	0.527
Rpim	0.083	0.029	0.289
Number of reflections	23890	1227	1152
<I/σ(I)>	5.2
Completeness [%]	97.5	95.2	94.2
Redundancy	3.1	3.1	2.9
CC(1/2)		0.996	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-HCl, pH 8.5, 30% v/v PEG400