9GNU
Tubulin in complex with a dioxane 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 | 2020-02-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.197, 159.166, 178.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.139 - 2.200 |
| Rwork | 0.164 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.344 |
| 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] | 48.140 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.081 | 1.163 |
| Rmeas | 0.086 | |
| Rpim | 0.027 | 0.391 |
| Number of reflections | 151850 | 7406 |
| <I/σ(I)> | 16.6 | 1.9 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 9.5 | 9.6 |
| CC(1/2) | 0.999 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.1 M Mes / 0.1 M Imidazole pH 6.5, 0.03 M CaCl2 / 0.03 M MgCl2, 5 mM L-Tyrosine, 8 % glycerol, 5.5 % PEG4000 |
