7Z7C

Broadly neutralizing DARPin bnD.8 in complex with the HIV-1 envelope variable loop 3 peptide V3 (BF520)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	96.227, 40.602, 45.631
Unit cell angles	90.00, 113.91, 90.00

Refinement procedure

Resolution	41.720 - 1.220
R-factor	0.1499
Rwork	0.147
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qyj
RMSD bond length	0.013
RMSD bond angle	1.740
Data reduction software	XDS (VERSION Jan 31, 2020)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.720	1.270
High resolution limit [Å]	1.220	1.220
Rmerge	0.057
Rmeas	0.061
Rpim	0.024
Number of reflections	45596	4282
<I/σ(I)>	13	1.5
Completeness [%]	95.2	90
Redundancy	6.8
CC(1/2)	0.999	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	20% w/v PEG3350 0.18M Triammonium citrate