5TKK

Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 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	CCD
Collection date	2016-08-01
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	36.237, 82.233, 72.264
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	25.469 - 1.550
R-factor	0.2109
Rwork	0.209
R-free	0.24690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.275
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.469	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.066	0.038	0.468
Rmeas	0.077
Rpim	0.040
Total number of observations	209617
Number of reflections	59733
<I/σ(I)>	13.1
Completeness [%]	97.3	91.8	77.3
Redundancy	3.5	3.5	2.1
CC(1/2)		0.997	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M MgCl2, 0.1M Tris-HCl pH8.5, 20% PEG8000