6DEM
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron 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 | 2016-03-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 175.414, 175.414, 177.527 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.984 - 2.038 |
| R-factor | 0.1466 |
| Rwork | 0.146 |
| R-free | 0.17230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dek |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.386 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.210 | 2.070 |
| High resolution limit [Å] | 2.038 | 2.040 |
| Rmerge | 0.129 | 0.913 |
| Rmeas | 0.135 | 0.960 |
| Rpim | 0.040 | 0.293 |
| Number of reflections | 102110 | 4701 |
| <I/σ(I)> | 15.6 | 2.6 |
| Completeness [%] | 99.7 | 94.3 |
| Redundancy | 21.7 | 19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 1 mM FAD, 1 mM ThDP, 5 mM MgCl2, 5 mM DTT, 3 mM sodium pyruvate, 1 M Na/K tartrate, 0.1 M CHES, and 0.2 M ammonium sulfate, 1 mM bensulfuron methyl |
