4KP6
Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 53.332, 53.332, 229.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.260 - 1.500 |
| R-factor | 0.16872 |
| Rwork | 0.168 |
| R-free | 0.19763 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.359 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.260 | |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.082 | |
| Number of reflections | 48537 | |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 89.3 | 89.3 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | ethylene glycole, PEG1K, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
