6CDM

Structure of vaccine-elicited HIV-1 neutralizing antibody vFP7.04 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	2016-11-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	79.565, 61.034, 88.654
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	48.417 - 2.408
R-factor	0.1853
Rwork	0.183
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bky
RMSD bond length	0.005
RMSD bond angle	0.911
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]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.127	0.054	0.412
Rmeas	0.150	0.064	0.500
Rpim	0.079	0.034	0.279
Total number of observations	113946
Number of reflections	33013	1743	1567
<I/σ(I)>	4.9
Completeness [%]	99.6	100	95.7
Redundancy	3.5	3.5	2.8
CC(1/2)		0.996	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M MES pH 6.0, 30% PEG 6000