3PWY

Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	200
Detector technology	CCD
Collection date	2006-01-12
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	122.376, 122.376, 47.632
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.500
R-factor	0.22572
Rwork	0.220
R-free	0.27649
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h1w
RMSD bond length	0.005
RMSD bond angle	0.868
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	3.500
Number of reflections	5005
<I/σ(I)>	5.2
Completeness [%]	93.7
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1 M Tris pH 7.4, 2.1 M ammonium sulfate; 16 mg/ml protein in 50 mM Tris pH 8, 400 mM KCl, 3 mM DTT; supplemented with 20 mM DTT prior to addition of inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 293K