3P2S
Crystal structure of the fluoroacetyl-CoA-specific thioesterase FlK in an open conformation
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 | 62.770, 90.690, 52.270 |
| Unit cell angles | 90.00, 104.53, 90.00 |
Refinement procedure
| Resolution | 19.767 - 1.950 |
| R-factor | 0.1896 |
| Rwork | 0.188 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.770 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 20623 | |
| Completeness [%] | 99.7 | 99.7 |
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 |
