3W5E
Crystal structure of phosphodiesterase 4B in complex with compound 31e
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.064, 158.190, 58.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.770 - 2.300 |
| R-factor | 0.1904 |
| Rwork | 0.182 |
| R-free | 0.26910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0j |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.420 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.116 | 0.068 | 0.491 |
| Number of reflections | 30568 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 88.8 | 96.6 | 86.3 |
| Redundancy | 5.4 | 5.1 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 10-20% PEG 3350, 0.2-0.4M CaCl2, 0.1M Tris/HCl (pH8.0), vapor diffusion, hanging drop, temperature 295K |
