7DNF

DARPin 63_B7 in complex with V3-IY (MN) crown mimetic

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	2013-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	48.350, 105.980, 64.020
Unit cell angles	90.00, 93.44, 90.00

Refinement procedure

Resolution	48.260 - 1.780
R-factor	0.188
Rwork	0.187
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1SVX chain A
RMSD bond length	0.004
RMSD bond angle	0.548
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	1.844
High resolution limit [Å]	1.780	1.780
Rmerge	0.128	1.572
Rmeas	0.073
Number of reflections	59433	5571
<I/σ(I)>	7.67
Completeness [%]	96.5	90.79
Redundancy	3.9	3.6
CC(1/2)	0.995	0.271

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	25% w/v PEG 3350, 0.2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5