6HWO
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1335
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-16 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.465, 110.848, 160.461 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.190 - 1.990 |
| R-factor | 0.20108 |
| Rwork | 0.198 |
| R-free | 0.25539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sl3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.935 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.190 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.066 | 0.790 |
| Rmeas | 0.071 | 0.859 |
| Rpim | 0.028 | 0.333 |
| Number of reflections | 120894 | 8845 |
| <I/σ(I)> | 14.1 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.6 |
| CC(1/2) | 0.999 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 24% PEG 3350, 30% Ethylene Glycol, 0.1 M HEPES pH 7.5 |
