4WT2
Co-crystal Structure of MDM2 in Complex with AM-7209
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 45.517, 45.517, 208.624 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.760 - 1.420 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.233 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.470 |
| High resolution limit [Å] | 1.420 | 3.060 | 1.420 |
| Rmerge | 0.065 | 0.032 | 0.774 |
| Total number of observations | 369644 | ||
| Number of reflections | 25560 | ||
| <I/σ(I)> | 8.8 | ||
| Completeness [%] | 99.9 | 99.9 | 99.4 |
| Redundancy | 14.5 | 15 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 1.4M Ammonium Sulfate, 0.1M Sodium Citrate |
