3TU1
Exhaustive Fluorine Scanning towards Potent p53-MDM2 Antagonist
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2011-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 49.950, 59.250, 82.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.603 |
| R-factor | 0.20642 |
| Rwork | 0.205 |
| R-free | 0.24455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.467 |
| Data reduction software | XFIT |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 12505 | |
| Completeness [%] | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 277 | 0.1 M sodium acetate 18% PEG 4000 , pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
