5U7K
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 | 2006-08-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.866, 73.508, 91.494 |
| Unit cell angles | 109.38, 91.23, 90.67 |
Refinement procedure
| Resolution | 36.000 - 2.060 |
| R-factor | 0.1953 |
| Rwork | 0.192 |
| R-free | 0.25470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3itu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.514 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
| Rmerge | 0.049 | 0.023 | 0.298 |
| Total number of observations | 158012 | ||
| Number of reflections | 81915 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 96.8 | 98.3 | 91 |
| Redundancy | 1.9 | 1.9 | 1.8 |
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 |
