6BTY

Crystal structure of the PI3KC2alpha C2 domain in space group P41212

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	2016-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	53.062, 53.062, 199.794
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.521 - 1.678
R-factor	0.1971
Rwork	0.195
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3r
RMSD bond length	0.007
RMSD bond angle	1.150
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.860	46.860	1.710
High resolution limit [Å]	1.680	9.040	1.680
Rmerge	0.058	0.042	0.471
Rmeas	0.064	0.047	0.514
Rpim	0.025	0.021	0.202
Total number of observations	215571	619	10070
Number of reflections	33617	160	1640
<I/σ(I)>	13	17.8	2.8
Completeness [%]	99.3	50.7	95.1
Redundancy	6.4	3.9	6.1
CC(1/2)	0.999	0.998	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	PEG 3350