6FE7
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-356
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.220, 111.030, 160.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.300 - 2.000 |
| R-factor | 0.17118 |
| Rwork | 0.170 |
| R-free | 0.20001 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.894 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 1.300 |
| Rmeas | 0.108 | 1.408 |
| Rpim | 0.042 | 0.538 |
| Number of reflections | 119295 | 8760 |
| <I/σ(I)> | 12.3 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 | 0.547 |
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 |
