9HRQ
Crystal structure of Arabidopsis thaliana Fatty Acid Thioesterase A with an unidentified ligand which closes the N-terminal domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-01 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 96.790, 98.580, 128.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.290 - 1.540 |
| R-factor | 0.19033 |
| Rwork | 0.189 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.790 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.118 | 3.120 |
| Rmeas | 0.120 | 3.225 |
| Rpim | 0.023 | 0.787 |
| Total number of observations | 2368183 | 97727 |
| Number of reflections | 90324 | 6419 |
| <I/σ(I)> | 17.4 | 0.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 26.2 | 15.2 |
| CC(1/2) | 1.000 | 0.356 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.85 | 293 | 0.1M MES pH 6.85, 1.6M Ammonium sulfate |
