6P7H

Vaccine-elicited NHP FP-targeting neutralizing antibody DF2F-b.04 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	2018-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	59.164, 62.219, 136.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.662 - 1.782
R-factor	0.2019
Rwork	0.201
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.756
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.105	0.058	0.792
Rmeas	0.114	0.063	0.917
Rpim	0.044	0.025	0.450
Total number of observations	315917
Number of reflections	48760	2645	2342
<I/σ(I)>	8.9
Completeness [%]	99.8	99.2	98.2
Redundancy	6.5	6.3	3.5
CC(1/2)		0.996	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2M MgCl2, 0.1M HEPES pH 7.5, 17.5% PEG 400