6PEF

Vaccine-elicited NHP FP-targeting antibody DF2F-a.01 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	2017-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	72.574, 52.504, 151.716
Unit cell angles	90.00, 90.68, 90.00

Refinement procedure

Resolution	43.171 - 2.004
R-factor	0.1845
Rwork	0.183
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
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	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.111	0.055	0.665
Rmeas	0.131	0.065	0.820
Rpim	0.068	0.034	0.473
Total number of observations	263243
Number of reflections	75515	3993	3662
<I/σ(I)>	8.6
Completeness [%]	97.9	98.5	96.1
Redundancy	3.5	3.6	2.6
CC(1/2)		0.994	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M NaCl, 0.1 M BIS-TRIS pH 6.5, 25% PEG 3350