5B4T
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) | 1.0 |
| 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 | 24.670 - 1.190 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.17270 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.402 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.630 |
| High resolution limit [Å] | 1.190 |
| Number of reflections | 57643 |
| <I/σ(I)> | 11.2 |
| Completeness [%] | 74.0 |
| Redundancy | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 30% PEG 4000, 100mM Tris hydrochloride pH 8.0, 200mM D-3-hydroxybutyrate, 5mM NAD+, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
