1E7V

Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	142.826, 67.334, 106.257
Unit cell angles	90.00, 96.13, 90.00

Refinement procedure

Resolution	60.840 - 2.400
R-factor	0.273
Rwork	0.273
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QMM
RMSD bond length	0.008
RMSD bond angle	21.700 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.840	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.070
Total number of observations	110067 *
Number of reflections	33528
<I/σ(I)>	20.49	1.57
Completeness [%]	85.4	39.2
Redundancy	3.3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.2 *	17 *	used hair seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	0.1 (M)
2	1	reservoir	ammonium sulfate	250 (mM)
3	1	reservoir	PEG4000	19 (%)