5TKJ

Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 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	2016-07-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	76.159, 120.182, 226.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.539 - 2.118
R-factor	0.2003
Rwork	0.198
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bky
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.539	50.000	2.160
High resolution limit [Å]	2.120	5.750	2.120
Rmerge	0.093	0.046	0.517
Rmeas	0.100
Rpim	0.037
Total number of observations	843512
Number of reflections	118381
<I/σ(I)>	5.4
Completeness [%]	99.8	99.8	97.1
Redundancy	7.1	7	5.4
CC(1/2)		0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.2M AmSO4, 0.1M NaoAc pH 4.6, 25% PEG 4000