1E8X

STRUCTURAL INSIGHTS INTO PHOSHOINOSITIDE 3-KINASE ENZYMATIC MECHANISM AND SIGNALLING

Replaces:  1QMM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID2
Synchrotron site	ESRF
Beamline	ID2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-05-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	143.288, 67.561, 106.952
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	100.000 - 2.200
R-factor	0.255
Rwork	0.255
R-free	0.30600
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	21.800 *
Data scaling software	SCALA
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	0.530
Number of reflections	49599
<I/σ(I)>	14.3	1.1
Completeness [%]	95.5	93.3
Redundancy	3.9	3.3

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 (%)