3P2R
Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate
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 | 2010-02-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.116 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 62.250, 92.390, 50.270 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 19.436 - 2.460 |
| R-factor | 0.1958 |
| Rwork | 0.194 |
| R-free | 0.24010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.972 |
| 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] | 19.440 | 2.500 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Number of reflections | 10125 | |
| Completeness [%] | 99.5 | 99.5 |
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 |
