7E4Y
Crystal structure of tubulin in complex with L-DM4-SMe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 103.991, 156.034, 182.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.512 - 2.708 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tv8 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.686 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.115 | 0.056 | 0.792 |
| Rmeas | 0.120 | 0.059 | 0.823 |
| Rpim | 0.033 | 0.016 | 0.223 |
| Total number of observations | 1071851 | ||
| Number of reflections | 81337 | 8526 | 8048 |
| <I/σ(I)> | 4.4 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 13.2 | 12.4 | 13.3 |
| CC(1/2) | 0.999 | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2, 30 mM MgCl2 |
