8PNG
Crystal structure of the apo acyl-CoA dehydrogenase FadE2 (PA0508) from Pseudomonas aeruginosa
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 | 2021-07-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.851, 64.396, 286.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.910 - 1.940 |
| R-factor | 0.20568 |
| Rwork | 0.203 |
| R-free | 0.26001 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.422 |
| Data reduction software | xia2 |
| Data scaling software | Xia2 DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.400 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.476 | 8.337 |
| Rmeas | 8.529 | |
| Rpim | 0.093 | 1.788 |
| Number of reflections | 86018 | 4126 |
| <I/σ(I)> | 6.1 | 0.4 |
| Completeness [%] | 100.0 | 98.5 |
| Redundancy | 26.7 | 22.5 |
| CC(1/2) | 0.995 | 0.305 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.1 M Sodium acetate pH 4.6, 30% (v/v) PEG 300 |
