4I6H
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-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 | 104.755, 60.849, 53.387 |
Unit cell angles | 90.00, 107.36, 90.00 |
Refinement procedure
Resolution | 51.990 - 1.910 |
R-factor | 0.30027 |
Rwork | 0.296 |
R-free | 0.35103 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.508 |
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] | 52.000 | 1.957 |
High resolution limit [Å] | 1.900 | 1.907 |
Number of reflections | 20215 | |
Completeness [%] | 84.5 | 30.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.5 | 277 | 0.1 M Bis-Tris, 0.8 M sodium formate, 19% PEG 3350, pH 5.5, EVAPORATION, temperature 277K |