6RWI
Fragment AZ-002 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 | 82.019, 112.193, 62.898 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.940 - 1.650 |
| R-factor | 0.17605 |
| Rwork | 0.174 |
| R-free | 0.20434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.587 |
| 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] | 62.900 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.075 | 0.683 |
| Number of reflections | 31697 | 2431 |
| <I/σ(I)> | 19.3 | 2.1 |
| Completeness [%] | 89.9 | 48.7 |
| Redundancy | 5.4 | 2.6 |
| CC(1/2) | 0.999 | 0.694 |
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. |
