7B4U

Broadly neutralizing DARPin bnD.2 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 X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	51.120, 69.290, 75.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.291 - 1.450
R-factor	0.1471
Rwork	0.146
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house model
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.291	42.291	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.045	0.023	0.426
Rmeas	0.047	0.024	0.448
Total number of observations	576452
Number of reflections	47687	631	3370
<I/σ(I)>	29.6	83.99	5.5
Completeness [%]	98.9	99.1	95.6
Redundancy	12.088	11.777	10.437
CC(1/2)	1.000	1.000	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	0.2M Ca Acetate, 0.1M Na Cacodylate pH 6.5, 25% PEG 2K MME