4Y8C
Crystal structure of phosphodiesterase 9 in complex with (S)-C33
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.719, 104.719, 270.274 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.650 - 2.700 |
| R-factor | 0.20654 |
| Rwork | 0.205 |
| R-free | 0.23119 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.700 |
| Rmerge | 0.125 |
| Number of reflections | 42348 |
| <I/σ(I)> | 7.2 |
| Completeness [%] | 100.0 |
| Redundancy | 16.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES, pH 7.5, 3.0 M sodium formate, soaked in crystallization buffer + 2 mM (S)-C33 at 298K for 1 day |
