8BPY
X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 222.423, 222.423, 120.257 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.740 - 3.300 |
| R-factor | 0.24974 |
| Rwork | 0.246 |
| R-free | 0.31232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | inhouse structure |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.490 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 22982 | 3601 |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 99.6 | |
| Redundancy | 8.8 | |
| CC(1/2) | 0.998 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 35% PP 5/4, 0.2 M KCl, 50 mM Hepes pH 7.25 |
