5K3S
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium
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 | 2015-07-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 179.715, 179.715, 184.775 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.034 - 2.873 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yhy |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.712 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.040 | 2.920 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.183 | 0.897 |
| Number of reflections | 40616 | |
| <I/σ(I)> | 37.5 | 3.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.4 | 18.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 290 | Potassium citrate, PEG 3350, FAD, ThDP, Magnesium chloride, DTT, Bispyribac |
