4YJ3
Crystal structure of tubulin bound to compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.200, 157.690, 181.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.069 - 3.750 |
| R-factor | 0.2428 |
| Rwork | 0.239 |
| R-free | 0.27920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o2b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.470 |
| Data scaling software | XSCALE (January 10, 2014) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.070 | 3.670 | |
| High resolution limit [Å] | 3.750 | 15.580 | 3.570 |
| Rmerge | 0.371 | 0.051 | 1.670 |
| Rmeas | 0.513 | 0.062 | 1.894 |
| Total number of observations | 174017 | ||
| Number of reflections | 31487 | 509 | 2753 |
| <I/σ(I)> | 4.83 | 17.45 | 1.12 |
| Completeness [%] | 99.3 | 98.5 | 98.9 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 298 | 100 mM MES/imidazole, 30 mM CaCl2, 30 mM MgCl2, 6% (w/v) PEG 4000, 4% glycerol CRYO 16% glycerol |
