9QMX
Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase in complex with Tefuryltrione (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 1 2 1 |
| Unit cell lengths | 77.192, 84.068, 62.644 |
| Unit cell angles | 90.00, 100.51, 90.00 |
Refinement procedure
| Resolution | 35.310 - 1.700 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.014 |
| 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] | 35.320 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.089 | 1.193 |
| Rmeas | 0.096 | 1.285 |
| Rpim | 0.036 | 0.473 |
| Number of reflections | 42619 | 2287 |
| <I/σ(I)> | 10 | 1.3 |
| Completeness [%] | 98.7 | 98.6 |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.998 | 0.610 |
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 |
