3KVI
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 61.630, 92.410, 49.580 |
| Unit cell angles | 90.00, 101.55, 90.00 |
Refinement procedure
| Resolution | 33.480 - 1.760 |
| R-factor | 0.19013 |
| Rwork | 0.187 |
| R-free | 0.25203 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.133 |
| 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] | 33.480 | 1.850 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 27041 | |
| Completeness [%] | 99.8 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Tris HCl Peg4000 Sodium fluoro-acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
