5WKC
Saccharomyces cerevisiae acetohydroxyacid synthase in complex with the herbicide penoxsulam
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 | 2013-02-16 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 218.213, 218.213, 361.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.794 - 2.334 |
| R-factor | 0.1507 |
| Rwork | 0.150 |
| R-free | 0.18020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n0h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.790 | 2.370 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.123 | 0.751 |
| Rpim | 0.052 | 0.316 |
| Number of reflections | 183012 | 8829 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.9 | 98 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1 M succinic acid pH 7.0, 0.1 M HEPES pH 7.0 and 1% w/v polyethylene glycol monomethyl ether 2,000. |
