6S40
Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-02 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.090, 112.115, 62.604 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.040 - 1.900 |
| R-factor | 0.16702 |
| Rwork | 0.165 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.593 |
| 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] | 41.040 | 1.987 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.036 | 0.190 |
| Rmeas | 0.050 | 0.268 |
| Number of reflections | 22929 | 2050 |
| <I/σ(I)> | 23.96 | 4.27 |
| Completeness [%] | 99.0 | 90.23 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.998 | 0.917 |
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. |
