9QMU
Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase in complex with Manganese
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 | 76.772, 83.921, 61.148 |
| Unit cell angles | 90.00, 102.21, 90.00 |
Refinement procedure
| Resolution | 41.960 - 1.800 |
| R-factor | 0.1605 |
| Rwork | 0.159 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.269 |
| 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] | 59.780 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.863 |
| Rmeas | 0.086 | 0.937 |
| Rpim | 0.032 | 0.360 |
| Number of reflections | 49089 | 2425 |
| <I/σ(I)> | 10.8 | 1.5 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 7 | 6.6 |
| CC(1/2) | 0.999 | 0.859 |
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 |
