6S3C
Fragment AZ-019 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 | 2017-07-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54187 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.400, 112.570, 62.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.680 - 2.000 |
| R-factor | 0.23149 |
| Rwork | 0.230 |
| R-free | 0.25241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.445 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.680 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.214 |
| Rmeas | 0.131 | 0.302 |
| Number of reflections | 19424 | 1832 |
| <I/σ(I)> | 4.1 | 2.86 |
| Completeness [%] | 96.0 | 99.4 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.966 | 0.856 |
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. |
