9S4H
Crystal structure of Arabidopsis thaliana Fatty Acid Thioesterase A with the x1816-FU1 ligand
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-07-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 98.531, 98.531, 128.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.770 - 2.240 |
| R-factor | 0.23003 |
| Rwork | 0.227 |
| R-free | 0.28043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.359 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.770 | 2.434 |
| High resolution limit [Å] | 2.237 | 2.237 |
| Number of reflections | 7561 | 378 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 48.2 | 11 |
| Redundancy | 22.8 | 24.9 |
| CC(1/2) | 0.967 | 0.624 |
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 |
