9FBD
Crystal structure of 3-hydroxybutyryl-CoA dehydrogenase from Thermus thermophilus HB27 complexed to NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.202, 148.289, 97.442 |
| Unit cell angles | 90.00, 111.08, 90.00 |
Refinement procedure
| Resolution | 19.930 - 1.800 |
| R-factor | 0.20066 |
| Rwork | 0.200 |
| R-free | 0.22601 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.526 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 1.628 |
| Number of reflections | 212528 | 30901 |
| <I/σ(I)> | 11.7 | 0.9 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 4 | |
| CC(1/2) | 0.999 | 0.459 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | LiNaK Buffer System 5 pH = 7.5 Precipitant Mix 5, both the Buffer System 5 and the Precipitant Mix 5 are available at Molecular Dimensions website |
