2IBW
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 | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.141 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.143, 107.577, 101.954 |
| Unit cell angles | 90.00, 102.89, 90.00 |
Refinement procedure
| Resolution | 48.220 - 1.900 |
| R-factor | 0.15532 |
| Rwork | 0.153 |
| R-free | 0.19450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.302 |
| 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] | 48.220 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.083 | 0.294 |
| Number of reflections | 125843 | |
| <I/σ(I)> | 12.7 | 4.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.2 | 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 |
