3G49
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.207, 83.599, 179.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.270 - 2.500 |
| R-factor | 0.19087 |
| Rwork | 0.189 |
| R-free | 0.22518 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.037 |
| RMSD bond angle | 2.930 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.500 |
| Number of reflections | 38125 |
| Completeness [%] | 91.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
