9QMT
Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase in complex with Mesotrione (Mn)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.635, 83.628, 61.530 |
| Unit cell angles | 90.00, 100.64, 90.00 |
Refinement procedure
| Resolution | 34.390 - 2.000 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.21480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.789 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.980 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.146 | 1.562 |
| Rmeas | 0.157 | 1.689 |
| Rpim | 0.059 | 0.635 |
| Number of reflections | 25531 | 1871 |
| <I/σ(I)> | 6.4 | 1 |
| Completeness [%] | 98.7 | 98.9 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.996 | 0.664 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Morpheus G12 0.1 M Carboxylic acids 0.1 M Buffer System 3 8.5 37.5 % v/v Precipitant Mix 4 |
