4I6F
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 | 103.824, 60.123, 53.119 |
Unit cell angles | 90.00, 107.14, 90.00 |
Refinement procedure
Resolution | 33.650 - 2.900 |
R-factor | 0.24005 |
Rwork | 0.235 |
R-free | 0.32116 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.840 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.700 | 2.976 |
High resolution limit [Å] | 2.900 | 2.901 |
Number of reflections | 6709 | |
Completeness [%] | 99.9 | 100 |
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 |