6PDS

Vaccine-elicited NHP FP-targeting antibody 0PV-a.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	2018-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.857, 74.381, 187.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.452 - 1.893
R-factor	0.1943
Rwork	0.193
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3228)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.121	0.068	0.635
Rmeas	0.136	0.075	0.724
Rpim	0.061	0.032	0.341
Total number of observations	316884
Number of reflections	75448	3693	3762
<I/σ(I)>	8.2
Completeness [%]	96.3	87.2	97.3
Redundancy	4.2	4.4	4.1
CC(1/2)		0.993	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.17M (NH4)2SO4, 25.5% PEG 4000, 15% Glycerol