8AED

Broadly neutralizing DARPin bnD.9 in complex with the HIV-1 envelope variable loop 3 peptide V3 (BG505)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-25
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	50.795, 55.233, 58.032
Unit cell angles	90.00, 98.54, 90.00

Refinement procedure

Resolution	50.230 - 1.170
R-factor	0.1556
Rwork	0.154
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qyj
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.390	1.250
High resolution limit [Å]	1.170	1.170
Rmerge	0.071
Rmeas	0.085
Rpim	0.046
Number of reflections	79970	3995
<I/σ(I)>	12.3	1.8
Completeness [%]	87.5	43.1
Redundancy	6.2
CC(1/2)	0.994	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM trisodium citrate, pH 4.31 165 mM magnesium acetate 20% PEG smear broad (PSB)