3W69
Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-03-02 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.562, 65.761, 81.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.180 - 1.900 |
| R-factor | 0.21038 |
| Rwork | 0.209 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rv1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.127 |
| Data reduction software | PROCESS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.800 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.475 |
| Number of reflections | 22162 | |
| <I/σ(I)> | 8.3 | 1.5 |
| Completeness [%] | 95.5 | 95.2 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293 | 2.4M Ammonium sulfate, 5% PEG 200, 0.1M Tris HCl, pH 8.1 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
