6O5O

Crystal Structure of the Disabled-2 (Dab2) Dab Homology Domain in Complex with Peptide STA02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 3 2 1
Unit cell lengths	102.724, 102.724, 80.831
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.942 - 1.750
R-factor	0.174
Rwork	0.173
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m7e
RMSD bond length	0.008
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.942	1.780
High resolution limit [Å]	1.750	1.750
Rmerge		0.696
Rmeas	0.069	0.721
Number of reflections	49944	9990
<I/σ(I)>	29.77	4.55
Completeness [%]	100.0	100
Redundancy	14.8
CC(1/2)	1.000	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	40 mM MgCl, 5 mM Ni(II)Cl, 0.1 M HEPES pH 7.0, 18% (w/v) PEG3350