2OM9
Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-16 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.344, 78.139, 104.231 |
| Unit cell angles | 100.10, 106.41, 90.01 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.586 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 42977 | |
| <I/σ(I)> | 8.1 | 1.8 |
| Completeness [%] | 93.8 | 90.1 |
| Redundancy | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 283 | 4M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
