4OGT
Co-Crystal Structure of MDM2 with Inhbitor Compound 46
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| 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 | 36.874 - 1.536 |
| R-factor | 0.2146 |
| Rwork | 0.214 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4erf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.133 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.070 | 0.053 | 0.669 |
| Number of reflections | 19582 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.7 | 99.2 | 97.9 |
| Redundancy | 11.7 | 10 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.8-1.8M Ammonium Sulfate, 0.1M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
