3W8E
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 62.780, 62.780, 119.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.980 - 1.240 |
| R-factor | 0.16793 |
| Rwork | 0.165 |
| R-free | 0.19223 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vdr |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.415 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.630 | 33.630 | 1.310 |
| High resolution limit [Å] | 1.190 | 3.920 | 1.240 |
| Number of reflections | 51382 | ||
| Completeness [%] | 75.2 | 19.09 | 66.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 30% PEG4000, 100mM Tris hydrochloride, 200mM D-3-hydroxybutyrate, 5mM NAD+, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
