4OBA
Co-crystal structure of MDM2 with Inhibitor Compound 4
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 | 2012-04-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.729, 98.674, 106.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.850 - 1.602 |
| R-factor | 0.2896 |
| Rwork | 0.288 |
| R-free | 0.31320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.099 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.110 | 0.075 | 0.481 |
| Number of reflections | 39558 | ||
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 99.7 | 98.1 | 99.3 |
| Redundancy | 5.7 | 5.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 1.6-2.3M Ammonium Sulfate, 0.1M citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
