3WS8
Crystal structure of PDE10A in complex with a benzimidazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.310, 81.107, 160.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.600 |
| R-factor | 0.22404 |
| Rwork | 0.219 |
| R-free | 0.31408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wi2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.625 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.040 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 18381 | |
| Completeness [%] | 89.6 | 95.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 296 | 50mM Bis-tris propane pH6.0, 50mM Magnesium sulfate, 15% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
