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 |