5K6R
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-27 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 180.364, 180.364, 186.467 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.670 - 2.734 |
| R-factor | 0.146 |
| Rwork | 0.145 |
| R-free | 0.17810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yhy |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.683 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.630 | 2.830 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.195 | 0.790 |
| Number of reflections | 47622 | |
| <I/σ(I)> | 10.2 | 2.1 |
| Completeness [%] | 99.6 | 96.1 |
| Redundancy | 21.2 | 19.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.8 | 290 | Na/K tartrate, CHES, ammonium sulfate, FAD, Thiamin diphosphate, MgCl2, DTT, Thiencarbazone-ethyl |
