1XOQ
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2004-03-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.899, 60.116, 163.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 1.830 |
| R-factor | 0.17806 |
| Rwork | 0.177 |
| R-free | 0.20469 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.261 |
| Data scaling software | ELVES |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.25) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.650 | 1.878 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.058 | |
| Number of reflections | 64048 | |
| <I/σ(I)> | 1.9 | 0.508 |
| Completeness [%] | 96.8 | 90.4 |
| Redundancy | 3.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 288 | PEG3350, ethylene glycol, isopropanol, glycerol and DTT , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
