6BUB

Crystal structure of the PI3KC2alpha PX domain in space group P432

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	2016-11-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 4 3 2
Unit cell lengths	116.310, 116.310, 116.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.483 - 2.604
R-factor	0.2394
Rwork	0.238
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iwl
RMSD bond length	0.009
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.132	0.869
Rmeas	0.133	0.880
Rpim	0.021	0.136
Total number of observations	354795	41490
Number of reflections	8738	1020
<I/σ(I)>	24.9	4.8
Completeness [%]	99.8	98.6
Redundancy	40.6	40.7
CC(1/2)	0.997	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	(NH4)2SO4