7PAE
The crystal structure of Deltarasin in complex with PDE6D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-26 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 55.843, 55.843, 116.524 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.360 - 1.850 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nal |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | DIMPLE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.360 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.081 | 1.022 |
| Rmeas | 0.086 | |
| Rpim | 0.039 | 0.484 |
| Number of reflections | 18659 | 4623 |
| <I/σ(I)> | 11.8 | 1.1 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 9 | 5.2 |
| CC(1/2) | 0.995 | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.8 | 295 | 0.1M Na acetate pH3.8, PEG300 29.50% |
