2PE2

CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-30
Detector	ADSC QUANTUM 4
Spacegroup name	P 32 2 1
Unit cell lengths	123.223, 123.223, 47.386
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.720 - 2.130
R-factor	0.189
Rwork	0.188
R-free	0.21500
Structure solution method	DIFFERENCE FOURIER PLUS REFINEMENT
RMSD bond length	0.005
RMSD bond angle	0.900
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.130	2.130
Number of reflections	22919
<I/σ(I)>	9.95	1.72
Completeness [%]	98.1	97.4
Redundancy	3.28	3.16

Crystallization Conditions

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