2R4F
Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.616, 135.334, 82.844 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 39.540 - 1.700 |
| R-factor | 0.215 |
| Rwork | 0.214 |
| R-free | 0.23400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.039 | 0.295 |
| Number of reflections | 186540 | |
| <I/σ(I)> | 25.6 | |
| Completeness [%] | 94.0 | 75.1 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
