4OGV
Co-Crystal Structure of MDM2 with Inhibitor Compound 49
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.301, 97.412, 105.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.740 - 2.197 |
| R-factor | 0.2573 |
| Rwork | 0.256 |
| R-free | 0.28350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.188 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.197 | 4.740 | 2.197 |
| Rmerge | 0.082 | 0.042 | 0.784 |
| Number of reflections | 15041 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 99.9 | 99.8 | 99.9 |
| Redundancy | 7 | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 1.6-2.3M Ammonium Sulfate, 0.1M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
