9C4R
Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide CMO
This is a non-PDB format compatible entry.
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 | PIXEL |
| Collection date | 2021-10-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 178.415, 178.415, 184.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.330 - 2.840 |
| R-factor | 0.1797 |
| Rwork | 0.179 |
| R-free | 0.19780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.733 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 2.840 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rpim | 0.030 | 0.220 |
| Number of reflections | 46156 | 4325 |
| <I/σ(I)> | 12.7 | 1.4 |
| Completeness [%] | 99.7 | |
| Redundancy | 19.5 | |
| CC(1/2) | 0.998 | 0.892 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.8 | 293 | CHES buffer, potassium sodium tartrate, sodium sulfate |
