6H9B
1,1-Diheterocyclic Ethylenes Derived from Quinaldine and Carbazole as New Tubulin Polymerization Inhibitors: Synthesis, Metabolism, and Biological Evaluation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978570 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.940, 128.480, 251.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.650 - 2.750 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ryc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Phasing software | PHENIX |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.650 | 2.843 |
| High resolution limit [Å] | 2.745 | 2.745 |
| Number of reflections | 55767 | |
| <I/σ(I)> | 10.41 | |
| Completeness [%] | 99.6 | |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG, LISO4, PIPES BUFFER, pH 6.80 |
