4MUW
Crystal Structure of PDE10A with Novel Keto-Benzimidazole 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 | 2013-01-07 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 252.659, 252.659, 252.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 2.639 |
| R-factor | 0.17237 |
| Rwork | 0.171 |
| R-free | 0.19574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ddl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.336 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.190 | 2.690 |
| High resolution limit [Å] | 2.639 | 2.639 |
| Number of reflections | 39179 | |
| Completeness [%] | 100.0 | 99.8 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
