3G9E
Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-07-02 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.911, 70.039, 88.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.300 |
| Rwork | 0.200 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1prg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.370 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.309 | |
| Number of reflections | 15017 | |
| <I/σ(I)> | 13.9 | 4.99 |
| Completeness [%] | 98.4 | 99.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M NaK TARTRATE, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
