9SLA
Pseudomonas putida 4-hydroxyphenylpyruvate dioxygenase in complex with Topramezone (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 | 2025-07-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.94056 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.200, 149.950, 87.763 |
| Unit cell angles | 90.00, 106.75, 90.00 |
Refinement procedure
| Resolution | 55.950 - 1.650 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.391 |
| 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] | 67.630 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.058 | 1.194 |
| Rmeas | 0.069 | 1.408 |
| Rpim | 0.036 | 0.741 |
| Number of reflections | 117150 | 5773 |
| <I/σ(I)> | 13.6 | 1.2 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.716 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 290 | Morpheus H9, 0.1 M Amino acids, 0.1 M Buffer System 3 8.5, 30 % v/v Precipitant Mix 1 |
