6RWU
Fragment AZ-010 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 | 2016-06-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.117, 111.852, 62.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.380 - 1.460 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7 PACIOREK) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.190 | 1.530 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Number of reflections | 40944 | 1436 |
| <I/σ(I)> | 19 | 3.3 |
| Completeness [%] | 80.3 | 19.8 |
| Redundancy | 6.3 | 2.7 |
| CC(1/2) | 0.997 | 0.777 |
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. |
