3HC8
Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-06-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 54.691, 77.085, 77.514 |
| Unit cell angles | 90.00, 101.93, 90.00 |
Refinement procedure
| Resolution | 19.270 - 1.790 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.088 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.270 | 1.860 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 26091 | |
| <I/σ(I)> | 24.3 | 1.6 |
| Completeness [%] | 88.9 | 89.7 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
