8U19
Crystal structure of SyoA bound to syringol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.851, 62.353, 58.710 |
| Unit cell angles | 90.00, 103.06, 90.00 |
Refinement procedure
| Resolution | 42.150 - 1.260 |
| R-factor | 0.1469 |
| Rwork | 0.146 |
| R-free | 0.18190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8u09 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.150 | 1.306 |
| High resolution limit [Å] | 1.260 | 1.261 |
| Rmerge | 0.049 | 0.814 |
| Number of reflections | 108149 | 10185 |
| <I/σ(I)> | 17.72 | 1.9 |
| Completeness [%] | 98.7 | 93.6 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 289 | 0.2 M magnesium nitrate hexahydrate, 20% w/v PEG3350 |
