6S8K
Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-19 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.565, 91.351, 83.221 |
| Unit cell angles | 90.00, 96.85, 90.00 |
Refinement procedure
| Resolution | 45.020 - 1.520 |
| R-factor | 0.1786 |
| Rwork | 0.177 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.766 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.025 | 1.574 |
| High resolution limit [Å] | 1.519 | 1.519 |
| Rmerge | 0.055 | 1.520 |
| Rmeas | 0.060 | |
| Rpim | 0.629 | |
| Number of reflections | 166365 | 15828 |
| <I/σ(I)> | 16.43 | 1.21 |
| Completeness [%] | 99.0 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.999 | 0.683 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 100 mM Bis-TrisMethane, pH 5.5, supplemented with 200 mM ammonium sulfate and 25% PEG3350 |
