3P3I
Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate and CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.116 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.556, 89.008, 71.202 |
Unit cell angles | 90.00, 118.10, 90.00 |
Refinement procedure
Resolution | 72.480 - 2.000 |
R-factor | 0.2193 |
Rwork | 0.218 |
R-free | 0.25160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.015 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.480 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 48041 | |
Completeness [%] | 95.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 0.1 M Tris-HCl, pH 7.6 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |