3W8D
Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
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 | 2011-06-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 62.740, 62.740, 119.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.920 - 1.370 |
| R-factor | 0.15805 |
| Rwork | 0.155 |
| R-free | 0.18435 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vdr |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.447 |
| 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] | 22.920 | 22.930 | 1.440 |
| High resolution limit [Å] | 1.370 | 4.330 | 1.370 |
| Number of reflections | 50566 | ||
| Completeness [%] | 98.6 | 87.42 | 98.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 34% PEG 4000, 100mM Tris hydrochloride, 200mM sodium methylmalonate, 5mM NAD+, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
