2IB7
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 | 2005-06-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8125 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.257, 106.493, 101.734 |
| Unit cell angles | 90.00, 102.95, 90.00 |
Refinement procedure
| Resolution | 73.320 - 2.050 |
| R-factor | 0.15948 |
| Rwork | 0.157 |
| R-free | 0.19803 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.307 |
| 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] | 73.320 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.078 | 0.300 |
| Number of reflections | 97946 | |
| <I/σ(I)> | 14.8 | 5.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.2 | 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 |
