1OYN
Crystal structure of PDE4D2 in complex with (R,S)-rolipram
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.785, 111.529, 160.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.000 |
| R-factor | 0.233 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.210 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 * | 0.540 * |
| Total number of observations | 677028 * | |
| Number of reflections | 89779 * | |
| <I/σ(I)> | 19.7 | 1.9 |
| Completeness [%] | 86.7 * | 69.1 * |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 4 * | 50 mM HEPES, 20% PEG3350, 25% ethylene glycol, 20% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 10 | 1 | reservoir | glycerol | 5 (%) | |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 4 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 7 | 1 | reservoir | PEG3350 | 20 (%) | |
| 8 | 1 | reservoir | ethylene glycol | 30 (%) | |
| 9 | 1 | reservoir | iso-propanol | 10 (%) |
