4FCD
Potent and Selective Phosphodiesterase 10A Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.453, 81.503, 157.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.910 - 2.020 |
| R-factor | 0.25947 |
| Rwork | 0.257 |
| R-free | 0.29976 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (Rigid body) |
| Refinement software | REFMAC (Rigid body) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 2.020 | 1.860 |
| Number of reflections | 40850 | |
| Completeness [%] | 72.0 | 23.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 12-18% PEG 3350, 100 mM MES, 3-6% methanol, pH 7.1, VAPOR DIFFUSION, HANGING DROP |
