5K32
PDE4D crystal structure in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2007-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.967, 79.739, 163.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.990 |
| R-factor | 0.2229 |
| Rwork | 0.220 |
| R-free | 0.28130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tb7 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.848 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.100 | 0.590 |
| Number of reflections | 245085 | |
| <I/σ(I)> | 1.7 | |
| Completeness [%] | 94.7 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 19% PEG 3350, 36 % Ethylene Glycol and 10 % Isopropanol as a precipitant |
