6SIP
Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface
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 | 82.121, 112.570, 62.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 1.600 |
| R-factor | 0.163348926018 |
| Rwork | 0.162 |
| R-free | 0.19636 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.788 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.680 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.026 | |
| Number of reflections | 29038 | 1460 |
| <I/σ(I)> | 34.3 | 6.7 |
| Completeness [%] | 74.8 | 26.1 |
| Redundancy | 3.1 | 1.2 |
| CC(1/2) | 0.999 | 0.971 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M Hepes, pH7.5, 27%PEG, 5% Glycerol, 0.2M Calcium Chloride, 2mM DTT |
