9GS1
Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with Oxaziclomefone
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-15 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 96.154, 97.839, 126.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.420 - 1.900 |
| Rwork | 0.236 |
| R-free | 0.27160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.520 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.420 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 47041 | 3102 |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 4.2 | 2.4 |
| CC(1/2) | 0.997 | 0.709 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.6M Ammonium sulphate, 0.1M sodium acetate pH 4.8 |
