8PU5
Crystal structure of the Acyl-CoA dehydrogenase FadE1(PA0506) E441A from Pseudomonas aeruginosa complexed with C16CoA
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 | 2021-11-29 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 92.955, 92.955, 128.782 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.630 - 1.440 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.21378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.629 |
| Data reduction software | xia2 (3.3.3) |
| Data scaling software | xia2 (3.3.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 128.780 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.194 | 4.451 |
| Rmeas | 0.197 | 4.529 |
| Rpim | 0.031 | 0.834 |
| Number of reflections | 114956 | 5683 |
| <I/σ(I)> | 11.5 | 0.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 38.5 | 29.3 |
| CC(1/2) | 0.999 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M Bis Tris Propane pH 6.5, 0.2M sodium nitrate, 20% w/v PEG 3350, 10% v/v ethylene glycol, 5mM C16CoA |
