3KV8
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.430, 92.990, 50.090 |
| Unit cell angles | 90.00, 101.58, 90.00 |
Refinement procedure
| Resolution | 28.670 - 1.850 |
| R-factor | 0.17199 |
| Rwork | 0.169 |
| R-free | 0.22810 |
| Starting model (for MR) | 1hnn |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.029 |
| 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] | 30.590 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 23674 | |
| Completeness [%] | 98.5 | 98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Tris HCl PEG4000 Sodium Fluoroacetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
