6BU0

Crystal structure of the PI3KC2alpha C2 domain in complex with IP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	91.652, 126.715, 38.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.094 - 2.427
R-factor	0.2115
Rwork	0.209
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3r
RMSD bond length	0.009
RMSD bond angle	1.414
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.830	2.520
High resolution limit [Å]	2.430	2.430
Rmerge	0.046	0.496
Rmeas	0.051	0.538
Rpim	0.020	0.208
Total number of observations	114498	11479
Number of reflections	17713	1747
<I/σ(I)>	16.8	2.7
Completeness [%]	99.6	97
Redundancy	6.5	6.6
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	PEG 8000