6S39
Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-25 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.110, 111.990, 62.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.590 - 1.880 |
| R-factor | 0.35558 |
| Rwork | 0.354 |
| R-free | 0.38783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.405 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.590 | 1.930 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.266 | 0.412 |
| Rmeas | 0.322 | 0.500 |
| Number of reflections | 23688 | 1495 |
| <I/σ(I)> | 3.7 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.7 | 5.4 |
| CC(1/2) | 0.937 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT. |
