7DCK
Crystal structure of phosphodiesterase tw9814
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2017-04-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0082 |
| Spacegroup name | P 61 |
| Unit cell lengths | 164.288, 164.288, 55.645 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.070 - 2.340 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p4z |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.632 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.070 | 2.390 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.107 | 0.547 |
| Rpim | 0.061 | 0.413 |
| Number of reflections | 35874 | 1665 |
| <I/σ(I)> | 11.67 | 0.97 |
| Completeness [%] | 98.3 | 91.9 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | MPD, sodium cacodylate, magnesium chloride |
