6S8L
Structure, Thermodynamics, and Kinetics of Plinabulin Binding to two Tubulin Isotypes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-19 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.630, 91.200, 82.640 |
| Unit cell angles | 90.00, 97.49, 90.00 |
Refinement procedure
| Resolution | 45.600 - 1.801 |
| R-factor | 0.2179 |
| Rwork | 0.215 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.721 |
| 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] | 45.600 | 1.865 |
| High resolution limit [Å] | 1.801 | 1.801 |
| Rmerge | 0.143 | 1.894 |
| Rmeas | 0.155 | |
| Rpim | 0.061 | 0.823 |
| Number of reflections | 98394 | 5181 |
| <I/σ(I)> | 11.04 | 1.29 |
| Completeness [%] | 93.3 | 52.11 |
| Redundancy | 6.6 | 6.3 |
| CC(1/2) | 0.996 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 100 mM Bis-TrisMethane, pH 5.5, supplemented with 200 mM ammonium sulfate and 25% PEG3350 |
