9QMF
Pseudomonas putida 4-hydroxyphenylpyruvate dioxygenase in complex with Tembotrione (Mn)
This is a non-PDB format compatible entry.
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 | 2024-02-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.014, 168.364, 81.810 |
| Unit cell angles | 90.00, 91.98, 90.00 |
Refinement procedure
| Resolution | 52.640 - 1.950 |
| R-factor | 0.2115 |
| Rwork | 0.210 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| 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] | 66.960 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.110 | 1.367 |
| Rmeas | 0.119 | 1.474 |
| Rpim | 0.044 | 0.546 |
| Number of reflections | 148164 | 6778 |
| <I/σ(I)> | 8 | 1.2 |
| Completeness [%] | 99.2 | 92.5 |
| Redundancy | 7.1 | 7.1 |
| CC(1/2) | 0.997 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | Morpheus C2 0.09 M NPS 0.1 M Buffer System 1 6.5 30 % v/v Precipitant Mix 2 |
