6CDO

Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 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	2017-07-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	141.027, 141.027, 77.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.954 - 2.099
R-factor	0.1956
Rwork	0.194
R-free	0.22640
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.108	0.051	0.931
Rmeas	0.112	0.053	0.978
Rpim	0.030	0.014	0.294
Total number of observations	641724
Number of reflections	46197	2535	2251
<I/σ(I)>	5.7
Completeness [%]	100.0	99.6	99.7
Redundancy	13.9	13.4	9.7
CC(1/2)		0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M NaoAc pH 4.5, 2 M AmSO4