2PE0

CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	96.2
Detector technology	CCD
Collection date	2003-10-22
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	123.951, 123.951, 47.217
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.710 - 2.350
R-factor	0.202
Rwork	0.200
R-free	0.24000
Structure solution method	DIFFERENCE FOURIER PLUS REFINEMENT
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	CNX
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.350	2.350
Number of reflections	17172
<I/σ(I)>	7.44	1.61
Completeness [%]	97.4	99
Redundancy	2.62	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	AMMONIUM SULFATE, TRIS, EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50