5K6T
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-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 | 2015-10-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 180.025, 180.025, 186.157 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.006 - 2.763 |
| R-factor | 0.1427 |
| Rwork | 0.141 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k2o |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.632 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.550 | 2.860 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.131 | 0.741 |
| Number of reflections | 45984 | |
| <I/σ(I)> | 16.2 | 2.7 |
| Completeness [%] | 99.7 | 96.9 |
| Redundancy | 21.4 | 21.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.6 | 290 | Sodium potassium tartrate, CHES, ammonium sulfate, FAD, ThDP, Magnesium chloride, DTT, Propoxycarbazone-sodium |
