24GH
Crystal structure of HpsK from Bilophila wadsworthia in complex with S-DHPS (2,3-dihydroxypropanesulfonate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-10-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.827 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.753, 52.048, 66.644 |
| Unit cell angles | 70.31, 88.75, 80.14 |
Refinement procedure
| Resolution | 46.659 - 1.050 |
| Rwork | 0.118 |
| R-free | 0.13610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.907 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0431) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.659 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Number of reflections | 285217 | 13723 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 94.7 | |
| Redundancy | 3.6 | |
| CC(1/2) | 1.000 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG3350, Bis-Tris, pH 5.5, sodium chloride |
