6S9Q
Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-07 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.105, 111.850, 62.703 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.520 - 1.690 |
| R-factor | 0.1941 |
| Rwork | 0.193 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.035 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.700 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.138 | 0.857 |
| Rmeas | 0.151 | 0.953 |
| Rpim | 0.059 | 0.405 |
| Number of reflections | 28198 | 2031 |
| <I/σ(I)> | 13.5 | 2.2 |
| Completeness [%] | 86.0 | 43.5 |
| Redundancy | 6.4 | 4.7 |
| CC(1/2) | 0.992 | 0.705 |
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. |
