9W17
3-Hydroxybutyryl-CoA dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 81.505, 143.747, 168.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.300 - 2.290 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.26890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.635 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.130 | 0.430 |
| Number of reflections | 42280 | 1827 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 94.6 | |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% (w/v) PEG 3350, 0.2 M magnesium chloride, and 0.1 M Tris-HCl (pH 8.5) |
