4YKN

Pi3K alpha lipid kinase with Active Site Inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	84.667, 118.191, 190.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.930 - 2.900
R-factor	0.2038
Rwork	0.202
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.547
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1801))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.121	0.050	0.549
Total number of observations	319029
Number of reflections	43067
<I/σ(I)>	7.7
Completeness [%]	100.0	100	100
Redundancy	7.4	6.9	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	ethylenene glycol, PIP2