6B98
PDE2 in complex with compound 1
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 | 2012-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.034, 94.186, 102.526 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.090 - 1.970 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.24000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.090 |
| High resolution limit [Å] | 1.970 |
| Number of reflections | 50203 |
| <I/σ(I)> | 17.6 |
| 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 |
