9GMY
Tubulin in complex with an oxathiane analog of zampanolide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 104.907, 158.350, 178.836 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.306 - 1.970 |
| Rwork | 0.160 |
| R-free | 0.20240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.298 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.306 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.064 | 1.386 |
| Rmeas | 0.067 | |
| Rpim | 0.021 | 0.507 |
| Number of reflections | 209850 | 10323 |
| <I/σ(I)> | 18.8 | 1.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9.4 | 8.1 |
| CC(1/2) | 0.999 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 289.15 | 0.1 M Mes/0.1M Imidazole, 0.03M CaCl2/MgCl2, 5 mM L-Tyr, 2.5% glycerol, 4.6% PEG4000 |
