3DB8
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 160 |
Detector technology | CCD |
Collection date | 2007-02-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 3 |
Unit cell lengths | 135.118, 135.118, 135.118 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.150 |
R-factor | 0.23231 |
Rwork | 0.226 |
R-free | 0.27351 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d5w |
RMSD bond length | 0.006 |
RMSD bond angle | 0.987 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.320 |
High resolution limit [Å] | 3.150 | 3.150 |
Rmerge | 0.096 | 0.391 |
Number of reflections | 7096 | |
<I/σ(I)> | 7.3 | 2 |
Completeness [%] | 97.8 | 100 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | hanging-drop vapor diffusion at 4 C (277K); protein at 7 mg/ml in 50 mM Tris-HCl pH 7.5, 200 mM NaCl and 3 mM DTT; crystallization condition: 0.1 M HEPES pH 7.5, 0.2 M (NH4)2SO4, 22.5% PEG 3350, and 15% glycerol; cryoprotectant: 15% ethylene glycol., VAPOR DIFFUSION, HANGING DROP |