4N5M
Crystal structure of (R)-3-hydroxybutyryl-CoA dehydrogenase from Ralstonia eutropha in complexed 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 | 2013-07-24 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 139.570, 139.570, 70.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.390 - 1.340 |
| R-factor | 0.1691 |
| Rwork | 0.168 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q7b |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.446 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.067 | 0.295 |
| Number of reflections | 151127 | |
| <I/σ(I)> | 56.5 | 5.6 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 16.1 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | ethanol, citrate, lithium sulfate, pH 6.5, vapor diffusion, hanging drop, temperature 295K |
