4JIB
Crystal structure of of PDE2-inhibitor complex
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 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.880, 74.132, 91.802 |
| Unit cell angles | 109.67, 88.72, 88.97 |
Refinement procedure
| Resolution | 50.000 - 1.720 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.24020 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.490 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.390 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.720 | 3.710 | 1.720 |
| Rmerge | 0.066 | 0.043 | 0.452 |
| Number of reflections | 142966 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 96.2 | 97.9 | 85.9 |
| Redundancy | 3.9 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
