9HRR
Crystal structure of Arabidopsis thaliana Fatty Acid Thioesterase A in an apo state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-08 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9212 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 98.818, 98.815, 128.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.400 - 1.640 |
| R-factor | 0.21628 |
| Rwork | 0.214 |
| R-free | 0.26069 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.400 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.119 | 3.327 |
| Rmeas | 0.124 | 3.476 |
| Rpim | 0.033 | 0.993 |
| Total number of observations | 1043747 | 44908 |
| Number of reflections | 76807 | 3769 |
| <I/σ(I)> | 10.3 | 0.3 |
| Completeness [%] | 99.5 | |
| Redundancy | 13.6 | 11.9 |
| CC(1/2) | 0.999 | 0.395 |
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 |
