5K6J
Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 53.839, 53.839, 229.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.460 - 1.860 |
| R-factor | 0.2069 |
| Rwork | 0.205 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.975 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.460 | 2.110 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.069 | 0.438 |
| Number of reflections | 29585 | |
| <I/σ(I)> | 28.75 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 15.5 | 16.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | RESERVOIR SOLUTION : NULL |
