2IB9
Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase (T2): the importance of potassium and chloride for its structure and function
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.4022 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.749, 107.440, 102.326 |
| Unit cell angles | 90.00, 103.06, 90.00 |
Refinement procedure
| Resolution | 73.720 - 2.050 |
| R-factor | 0.15817 |
| Rwork | 0.156 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.720 | 2.150 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.073 | 0.357 |
| Number of reflections | 99949 | |
| <I/σ(I)> | 16.3 | 3.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 18% PEG 5000 monomethylether, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
