8IXI
Crystal structure of aldehyde dehydrogenase (EC 1.2.1.3) Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-23 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.447, 89.027, 65.997 |
| Unit cell angles | 90.00, 93.95, 90.00 |
Refinement procedure
| Resolution | 45.780 - 2.280 |
| R-factor | 0.21334 |
| Rwork | 0.211 |
| R-free | 0.26357 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.339 |
| Data scaling software | XDS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.780 | 2.360 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.147 | 0.078 |
| Rmeas | 0.169 | 0.088 |
| Rpim | 0.081 | 0.041 |
| Number of reflections | 28209 | 2776 |
| <I/σ(I)> | 11.9 | 2.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 8 | |
| CC(1/2) | 0.995 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Agnesium chloride hexahydrate, Bis-tris pH 6.5, PEG3350 |
