9QMW
Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase in complex with Sulcotrione (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 | 76.629, 83.888, 61.643 |
| Unit cell angles | 90.00, 100.10, 90.00 |
Refinement procedure
| Resolution | 41.940 - 1.600 |
| R-factor | 0.1606 |
| Rwork | 0.159 |
| R-free | 0.18340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.152 |
| 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] | 41.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.085 | 1.286 |
| Rmeas | 0.092 | 1.312 |
| Rpim | 0.035 | 0.497 |
| Number of reflections | 50165 | 2492 |
| <I/σ(I)> | 10.8 | 1.5 |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 7 | 6.5 |
| CC(1/2) | 0.999 | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | Morpheus C4 0.09 M NPS 0.1 M Buffer System 1 6.5 37.5 % v/v Precipitant Mix 4 |
