9WP5
The crystal structure of PDE4D with Pinoresinol Dimethyl Ether
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 | 2022-10-07 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.692, 80.089, 163.001 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.160 - 2.100 |
| R-factor | 0.2083 |
| Rwork | 0.206 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.498 |
| Data reduction software | CrysalisPro (V1) |
| Data scaling software | Aimless (V1) |
| Phasing software | PHASER (V1) |
| Refinement software | REFMAC (V1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.160 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.064 | 0.186 |
| Number of reflections | 44338 | 4387 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M HEPES (pH 7.4), 0.1M MgCl2, 15-18% PEG3350, 10% isopropanol, 25% ethylene glycol |
