3LJU

Crystal structure of full length centaurin alpha-1 bound with the head group of PIP3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	51.727, 66.414, 127.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.702
R-factor	0.193
Rwork	0.191
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3feh
RMSD bond length	0.016
RMSD bond angle	1.474
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.108	0.055	0.476
Number of reflections	48266
<I/σ(I)>	9.1
Completeness [%]	98.8	92.2	97.3
Redundancy	4.3	4.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG3350, 0.2M ammonium chloride. Protein buffer: 0.02M HEPES pH 7.3, 0.3M sodium chloride, 0.001M TCEP, 5% glyccerol, 2.0mg/mL L-alpha-Phosphatidyl-D-myo-inositol 3,4,5-triphosphate, dioctanoyl, from SIGMA, catalog no. P9953, vapor diffusion, temperature 291K