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 |