3ECN
Crystal structure of PDE8A catalytic domain in complex with IBMX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.325, 101.601, 76.573 |
| Unit cell angles | 90.00, 119.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| Rwork | 0.221 |
| R-free | 0.25600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | the unliganded PDE8A |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.043 | 0.230 |
| Number of reflections | 52808 | |
| <I/σ(I)> | 13 | 2.9 |
| Completeness [%] | 90.7 | 59.6 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | well buffer of 100 mM Na cacodylate, pH 6.5, 15% isopropanol, 30% ethylene glycol, 8% PEG3350 at 4oC, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
