3TGG
A novel series of potent and selective PDE5 inhibitor2
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 | 2005-11-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 54.493, 76.508, 76.811 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.910 |
| R-factor | 0.1883 |
| Rwork | 0.186 |
| R-free | 0.22860 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.950 |
| High resolution limit [Å] | 1.903 | 1.909 |
| Number of reflections | 23482 | |
| Completeness [%] | 98.1 | 95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M MgSO4, 10-15%PEG3350, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
