9QMM
Pseudomonas putida 4-hydroxyphenylpyruvate dioxygenase in complex with Fenquinotrione (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 | 2024-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97626 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 150.350, 170.385, 75.856 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.520 - 1.900 |
| R-factor | 0.2319 |
| Rwork | 0.230 |
| R-free | 0.25870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.150 |
| 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] | 45.250 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.082 | 0.749 |
| Rmeas | 0.085 | 0.777 |
| Rpim | 0.023 | 0.208 |
| Number of reflections | 76867 | 4478 |
| <I/σ(I)> | 13.7 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.6 | 13.9 |
| CC(1/2) | 0.989 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Morpheus A10 0.06 M Divalents 0.1 M Buffer System 3 8.5 30 % v/v Precipitant Mix 2 |
