6FK3
Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant full-length protein in complex with propanal)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.180, 105.180, 315.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.130 - 2.300 |
| R-factor | 0.19872 |
| Rwork | 0.198 |
| R-free | 0.24268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wj9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.197 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.405 | 2.123 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.286 | 6.405 |
| Number of reflections | 79663 | |
| <I/σ(I)> | 9.24 | |
| Completeness [%] | 99.4 | 97.39 |
| Redundancy | 25.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 50 mM MOPS pH 7.5 and 1.2 M ammonium sulfate, 50 mM propanal |
