6MUH
Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F3 |
Synchrotron site | CHESS |
Beamline | F3 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-03-04 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.2155 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.600, 79.100, 83.800 |
Unit cell angles | 90.00, 103.00, 90.00 |
Refinement procedure
Resolution | 40.826 - 1.800 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fsx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.826 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.188 | 0.037 |
Number of reflections | 48288 | 4597 |
<I/σ(I)> | 9.33 | |
Completeness [%] | 98.4 | |
Redundancy | 6.3 | |
CC(1/2) | 0.993 | 0.176 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.5 mM defluorinase with a mother liquor of 16-20% PEG 3350, 100mM Tris-Cl pH 8.5, and 200mM CaCl2 |