4O4I
Tubulin-Laulimalide-Epothilone A complex
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 | 2013-02-10 |
| Detector | PSI PILATUS 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.200, 158.030, 180.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.206 - 2.400 |
| R-factor | 0.1896 |
| Rwork | 0.188 |
| R-free | 0.21440 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 4o4h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.267 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.200 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.136 | 2.253 |
| Number of reflections | 117491 | |
| <I/σ(I)> | 18.5 | 1.3 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 13.4 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.7 | 293 | 6% PEG, 16% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 0.1M MES/0.1M imidazole, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
