6PEC

Vaccine-elicited NHP FP-targeting antibody DF2F-e.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	2017-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	54.763, 88.378, 121.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.712 - 1.746
R-factor	0.1948
Rwork	0.194
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.253
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.084	0.047	0.816
Rmeas	0.091	0.051	0.896
Rpim	0.034	0.019	0.363
Total number of observations	424862
Number of reflections	59700	3185	2924
<I/σ(I)>	9.6
Completeness [%]	98.8	97.2	97.3
Redundancy	7.1	6.7	5.7
CC(1/2)		0.997	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M calcium acetate, 0.1M Cacodylate pH 6.5, 18% PEG 8000