2IBU
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 X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8115 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.249, 106.569, 101.497 |
| Unit cell angles | 90.00, 102.90, 90.00 |
Refinement procedure
| Resolution | 19.460 - 1.900 |
| R-factor | 0.16719 |
| Rwork | 0.166 |
| R-free | 0.19772 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.332 |
| 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] | 19.460 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.347 |
| Number of reflections | 122616 | |
| <I/σ(I)> | 16 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.2 |
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 |
