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 |