4PZE
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with acetoacetyl-CoA
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 | 2013-09-16 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 234.243, 135.373, 97.356 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.28500 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.584 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 76529 | |
| Completeness [%] | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 295 | 2M (NH4)2SO4, 0.1M Cacodylate pH 6.5 and 0.2M Sodium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
