6NEW

Apo structure of the activated truncation of Vav1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	36.925, 67.693, 178.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.700 - 2.500
R-factor	0.202
Rwork	0.199
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house Vav1-Rac1 complex
RMSD bond length	0.010
RMSD bond angle	1.130
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.116	0.740
Rmeas	0.120	0.767
Rpim	0.032	0.199
Total number of observations	228443
Number of reflections	16248	1770
<I/σ(I)>	22
Completeness [%]	99.9	99.7
Redundancy	14.1	14.7
CC(1/2)	0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	294	16-22% (v/v) Ethylene Glycol, 0.1M TRIS pH 7.3, and 15% (w/v) Polyethylene Glycol 8000