7BIV
Inhibitor of MDM2-p53 Interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-14 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 71.646, 71.646, 100.483 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.020 - 1.640 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.050 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.063 | 1.319 |
| Number of reflections | 19381 | 1243 |
| <I/σ(I)> | 24.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 17.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 2.4M (NH4)2SO4 .1M pH=6 MES/NaOH |
