6CYB
PDE2 in complex with compound 7
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 | 2013-10-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.260, 96.640, 102.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.170 - 1.620 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.20100 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| 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] | 96.640 | 1.810 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.053 | 0.424 |
| Number of reflections | 90870 | |
| <I/σ(I)> | 20.3 | 4.3 |
| Completeness [%] | 99.9 | |
| Redundancy | 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 |
