1Y2K
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
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 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.349, 78.886, 164.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 1.360 |
| R-factor | 0.17521 |
| Rwork | 0.175 |
| R-free | 0.18765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.060 |
| 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 | 1.395 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.050 | 0.517 |
| Number of reflections | 143297 | |
| <I/σ(I)> | 9.2 | 1.7 |
| Completeness [%] | 90.1 | 86.4 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 288 | PEG3350, ethylene glycol, isopropanol, glycerol and DTT , pH 6.0-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 288K, pH 7.0 |
