9LFT
Biochemical and structural characterization of a novel 4-hydroxyphenylacetate-3-monooxygenase from Geobacillus mahadii Geo-05
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953738 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.571, 108.202, 99.055 |
| Unit cell angles | 90.00, 99.46, 90.00 |
Refinement procedure
| Resolution | 97.900 - 2.400 |
| R-factor | 0.18714 |
| Rwork | 0.184 |
| R-free | 0.24989 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.704 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.200 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.188 | 1.262 |
| Rmeas | 0.203 | 1.389 |
| Rpim | 0.078 | 0.801 |
| Number of reflections | 73743 | 4549 |
| <I/σ(I)> | 6.9 | 1.6 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.7 | 5.7 |
| CC(1/2) | 0.992 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.8M Sodium formate, 0.1M Sodium cacodylate, 25% w/v PEG200 MME |
