5U7D
PDE2 catalytic domain complexed with inhibitors
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 | CCD |
| Collection date | 2006-06-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.256, 74.369, 91.641 |
| Unit cell angles | 90.00, 110.33, 90.00 |
Refinement procedure
| Resolution | 38.920 - 1.750 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.880 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.075 | 0.047 | 0.410 |
| Total number of observations | 385345 | ||
| Number of reflections | 106728 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.8 | 99.5 | 99.5 |
| Redundancy | 3.6 | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 25% PEG 3350, 0.1 M Tris, pH 8.5, and 0.2 M MgCl2 |
