5ZNL
Crystal structure of PDE10A catalytic domain complexed with LHB-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-02 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.151, 81.328, 158.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.100 - 2.800 |
| R-factor | 0.23798 |
| Rwork | 0.234 |
| R-free | 0.30662 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oup |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.175 |
| 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] | 79.100 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.063 | 0.209 |
| Number of reflections | 15928 | 5332 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 97.9 | |
| Redundancy | 4.6 |
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 |
