1E8Y

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	1999-11-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	139.227, 66.255, 102.642
Unit cell angles	90.00, 97.85, 90.00

Refinement procedure

Resolution	68.960 - 2.000
R-factor	0.245
Rwork	0.245
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QMM
RMSD bond length	0.016
RMSD bond angle	23.000 *
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]	68.960	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.079
Total number of observations	176129 *
Number of reflections	58245
<I/σ(I)>	16.5	2.32
Completeness [%]	92.8	72.9
Redundancy	3.02	1.6

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 (%)