4I5M
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9788 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.329, 60.217, 53.213 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 39.340 - 1.801 |
| R-factor | 0.32356 |
| Rwork | 0.320 |
| R-free | 0.39202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.345 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.847 |
| High resolution limit [Å] | 1.801 | 1.801 |
| Number of reflections | 29562 | |
| Completeness [%] | 92.6 | 46.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5.5 | 277 | 0.1 M Bis-Tris pH 5.5, 0.8 M sodium formate, 19% PEG 3350, EVAPORATION, temperature 277K |
