9HMT
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with methiozolin-fluorine
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 | 2016-02-08 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 97.330, 97.330, 124.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.780 - 1.380 |
| Rwork | 0.190 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.592 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.780 | 1.420 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmeas | 0.060 | 1.130 |
| Number of reflections | 61206 | 4250 |
| <I/σ(I)> | 17 | 1.6 |
| Completeness [%] | 99.3 | 94 |
| Redundancy | 8.2 | 5.4 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate pH4.6, 1.5M ammonium sulphate |
