1X1T
Crystal Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi Complexed with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.765, 99.970, 109.585 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.520 |
| Rwork | 0.195 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.042 | 0.101 |
| Number of reflections | 54355 | |
| <I/σ(I)> | 61.8 | 21.5 |
| Completeness [%] | 98.3 | 89.7 |
| Redundancy | 6.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG3000, Na cacodylate. magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
