4KUH
Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase with acetoacetyl-CoA from Clostridium butyricum
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 | 2011-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 146.338, 146.338, 409.757 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.550 - 2.510 |
| R-factor | 0.19427 |
| Rwork | 0.191 |
| R-free | 0.25738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.649 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.760 | 2.500 |
| Rmerge | 0.088 | 0.041 | 0.306 |
| Number of reflections | 103800 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 92.6 | 99.8 | 81.2 |
| Redundancy | 3.6 | 5.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 295 | (NH4)2SO4, CAPs, Li2SO4, pH 10.5, vapor diffusion, hanging drop, temperature 295K |
