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 |