4KUE
Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase from Clostridium butyricum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97985 |
| Spacegroup name | H 3 |
| Unit cell lengths | 144.111, 144.111, 204.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.870 - 2.000 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0y |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.848 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.057 | 0.027 | 0.196 |
| Number of reflections | 86911 | ||
| <I/σ(I)> | 18.2 | ||
| Completeness [%] | 81.0 | 98.4 | 60.2 |
| Redundancy | 3.3 | 5.1 | 1.9 |
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 |
