7B4T

Broadly neutralizing DARPin bnD.1 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	33.980, 67.050, 95.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.925 - 1.950
R-factor	0.2115
Rwork	0.209
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model
RMSD bond length	0.004
RMSD bond angle	0.636
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]	38.925	38.925	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.151	0.030	1.498
Rmeas	0.170	0.033	1.712
Total number of observations	136355
Number of reflections	30369	333	2265
<I/σ(I)>	8.27	39.98	1.07
Completeness [%]	98.7	98.5	98.3
Redundancy	4.49	4.862	4.27
CC(1/2)	0.995	0.999	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277.15	0.2 M Ammonium sulphate, 12% w/v PEG 4000