7B4W

Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (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	2016-02-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	50.400, 67.060, 93.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.600 - 1.900
R-factor	0.18316
Rwork	0.181
R-free	0.22732
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house model
RMSD bond length	0.014
RMSD bond angle	1.787
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.420	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.105
Rmeas	0.121
Number of reflections	47910	3356
<I/σ(I)>	8.09
Completeness [%]	99.6
Redundancy	3.944
CC(1/2)	0.996	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	0.2M Ca Acetate, 0.1 Na Acetate pH 5.5, 30% PEG 2K MME