6CYC
PDE2 in complex with compound 5
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 | PIXEL |
| Collection date | 2013-08-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.250, 96.410, 101.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.170 - 1.540 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.20500 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.170 | 1.620 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.070 | 0.680 |
| Number of reflections | 105238 | |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% PEG8000, 0.1M Hepes pH7.5, 1mM TCEP |
