6RWH
Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma 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 | 2016-07-21 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.642, 112.176, 63.089 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.710 - 1.680 |
| R-factor | 0.18969 |
| Rwork | 0.188 |
| R-free | 0.22667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.660 |
| 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] | 63.090 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.081 | |
| Rmeas | 0.095 | 0.920 |
| Number of reflections | 31425 | 3270 |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 94.1 | 67.5 |
| Redundancy | 6.3 | 3 |
| CC(1/2) | 0.998 | 0.719 |
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. |
