3KUW
Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.504, 92.896, 49.594 |
| Unit cell angles | 90.00, 100.93, 90.00 |
Refinement procedure
| Resolution | 38.450 - 1.900 |
| R-factor | 0.18866 |
| Rwork | 0.185 |
| R-free | 0.25572 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.904 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.680 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 21719 | |
| Completeness [%] | 99.0 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | This-HCl, Fluoroacetate, PEG4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
