8ZQU
The crystal structure of PDE4D with isoaurostatin derivatives 2-6
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-18 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.475, 80.619, 163.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.645 - 2.000 |
| R-factor | 0.208116912168 |
| Rwork | 0.206 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wqa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.887 |
| Data reduction software | CrysalisPro (171.39.46) |
| Refinement software | REFMAC (V8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.645 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.380 |
| Number of reflections | 53059 | 3827 |
| <I/σ(I)> | 13.8 | 2.3 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 4.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M HEPES (pH 7.4), 0.1M MgCl2, 15% PEG3350, 10% isopropanol, 25% ethylene glycol |
