6CDP

Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 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	2017-07-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	60.460, 192.313, 87.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.166 - 2.456
R-factor	0.2142
Rwork	0.212
R-free	0.26360
RMSD bond length	0.003
RMSD bond angle	0.632
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	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.118	0.062	0.423
Rmeas	0.128	0.068	0.465
Rpim	0.049	0.026	0.188
Total number of observations	118218
Number of reflections	18612	1005	757
<I/σ(I)>	5.9
Completeness [%]	97.4	96.1	80
Redundancy	6.4	6.3	4.9
CC(1/2)		0.995	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Citric acid pH 3.5, 2 M AmSO4