7W4X
Crystal structure of PDE4D catalytic domain complexed with 17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-02 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.810, 80.301, 163.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.634 - 2.200 |
| R-factor | 0.229920525619 |
| Rwork | 0.229 |
| R-free | 0.25279 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wqa |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.596 |
| Data reduction software | CrysalisPro (171.39.46) |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.634 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.051 | 0.230 |
| Number of reflections | 39230 | 3582 |
| <I/σ(I)> | 22.9 | 4.2 |
| Completeness [%] | 99.5 | 99.64 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.1 M Hepes (pH 7.4), 0.1 M MgCl2, 15% PEG 3350, 10% isopropanol, and 25% ethylene glycol |
