3K4S
The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 83.217, 83.217, 148.766 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.150 - 2.050 |
| R-factor | 0.21133 |
| Rwork | 0.209 |
| R-free | 0.26155 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y2b |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.608 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.150 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.069 | 0.371 |
| Number of reflections | 33561 | |
| <I/σ(I)> | 11.7 | 4 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.49 | 7.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 0.5M Ammonium sulphate, 0.1M Sodium citrate pH 5.6, 1.0M Lithium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
