1UU8

Structure of human PDK1 kinase domain in complex with BIM-1

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	2003-02-15
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	122.397, 122.397, 48.016
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 2.500
R-factor	0.17642
Rwork	0.198
R-free	0.25900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h1w
RMSD bond length	0.010 *
RMSD bond angle	1.720 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.089	0.549
Total number of observations	40461 *
Number of reflections	13556	1105 *
<I/σ(I)>	9.8	2
Completeness [%]	92.6	75.6
Redundancy	3.0 *	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		2.1 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.1 (M)
2	1	reservoir	Tris-HCl	0.1 (M)	pH7.5
3	1	drop	ethanol	10 (mM)
4	1	drop	protein	6.6 (mg/ml)