1E90

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 ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-04-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	143.679, 67.735, 106.988
Unit cell angles	90.00, 95.94, 90.00

Refinement procedure

Resolution	39.300 - 2.700
R-factor	0.272
Rwork	0.272
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QMM
RMSD bond length	0.005
RMSD bond angle	21.000 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.300	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.048
Total number of observations	95921 *
Number of reflections	28095
<I/σ(I)>	17.14	3.63
Completeness [%]	99.3	99.4 *
Redundancy	3.4	3.5

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 (%)