5J78
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.579, 109.120, 196.243 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.289 - 2.100 |
| R-factor | 0.1459 |
| Rwork | 0.143 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k9d |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.142 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.136 | 0.684 |
| Number of reflections | 123787 | |
| <I/σ(I)> | 15.4 | 2.23 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 7.1 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 289 | 0.1M sodium acetate pH 4.8, 0.2M MgCl2, 15% (v/v) PEG1500 |
