6RWS
Fragment AZ-009 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 | 2016-06-20 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.221, 112.213, 62.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.110 - 1.530 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5moc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.320 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.064 | 0.391 |
| Rmeas | 0.076 | 0.529 |
| Number of reflections | 42938 | 5089 |
| <I/σ(I)> | 17 | 3.1 |
| Completeness [%] | 97.0 | 80.3 |
| Redundancy | 6.2 | 2.7 |
| CC(1/2) | 0.997 | 0.321 |
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. |
