4X0F
Crystal structure of crosslink stabilized long-form PDE4B in complex with (R)-(-)-rolipram
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 137.400, 137.400, 142.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 119.000 - 3.220 |
| R-factor | 0.1816 |
| Rwork | 0.179 |
| R-free | 0.22210 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4wzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.120 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 119.000 | 3.230 |
| High resolution limit [Å] | 3.220 | 3.220 |
| Rmerge | 0.178 | 0.476 |
| Number of reflections | 23686 | |
| <I/σ(I)> | 12 | 2.5 |
| Completeness [%] | 91.8 | 73 |
| Redundancy | 6.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 20% PEG 3350, 0.2M potassium iodide |
