5U7J
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 | 2006-04-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.866, 74.035, 92.411 |
| Unit cell angles | 109.66, 91.43, 90.92 |
Refinement procedure
| Resolution | 44.180 - 1.900 |
| R-factor | 0.1958 |
| Rwork | 0.194 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.910 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
| Rmerge | 0.061 | 0.027 | 0.443 |
| Total number of observations | 210202 | ||
| Number of reflections | 106624 | ||
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 95.9 | 96.4 | 89.6 |
| Redundancy | 2 | 2 | 1.9 |
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 |
