7VTX
Crystal structure of PDE8A catalytic domain in complex with 22
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2020-11-09 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.936, 132.005, 101.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.218 - 2.500 |
| R-factor | 0.247760991845 |
| Rwork | 0.246 |
| R-free | 0.27667 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ecm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.123 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | MOLREP (6.5.0) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.220 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.109 | 0.387 |
| Number of reflections | 17373 | 1740 |
| <I/σ(I)> | 17.23 | |
| Completeness [%] | 96.1 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100mM Cacodylate Sodium pH 6.5, 15% Isopropanol, 30% Ethylene Glycol, 11% PEG 3350 |
