6IJI
Crystal structure of PDE10 in complex with inhibitor 2b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-19 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.941, 159.455, 81.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.530 - 2.700 |
| R-factor | 0.26241 |
| Rwork | 0.258 |
| R-free | 0.34084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oup |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | PHASER (1.10) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.530 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.096 | 0.245 |
| Number of reflections | 24738 | 6491 |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 97.1 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes (pH 7.5), 0.2M MgCl2, 18% PEG 3350, 50mM 2-mercaptoethanol |
