4P0N
Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-12 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 253.283, 253.283, 253.283 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.080 |
| R-factor | 0.16014 |
| Rwork | 0.159 |
| R-free | 0.18190 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.056 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.080 |
| Number of reflections | 77609 |
| <I/σ(I)> | 27.3 |
| Completeness [%] | 98.6 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1.6M Ammonium Sulfate, 0.1M MES monohydrate, 10% v/v 1,4-Dioxane, pH 6.5 |
