5WQA
Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-31 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.992, 80.784, 163.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.790 - 2.300 |
| R-factor | 0.21921 |
| Rwork | 0.217 |
| R-free | 0.25151 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xon |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.097 |
| Data reduction software | CrysalisPro (38.41) |
| Data scaling software | CrysalisPro (38.41) |
| Phasing software | PHASER (1.10) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 81.790 |
| High resolution limit [Å] | 2.300 |
| Number of reflections | 34916 |
| <I/σ(I)> | 20.9 |
| Completeness [%] | 99.8 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES (pH 7.4), 0.1M MgCl2, 15% PEG3350, 10% isopropanol, 25% ethylene glycol |
