3KUV
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with 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 | 2007-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.296, 92.678, 49.109 |
| Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
| Resolution | 51.100 - 1.500 |
| R-factor | 0.18248 |
| Rwork | 0.181 |
| R-free | 0.21927 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.293 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.100 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.049 | |
| Number of reflections | 43450 | 6337 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 4000 Sodium acetate Tris-HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
