9EKQ
Inhibiting the Virulence of Gut Bacteria through Blocking the Activation of a Two-component Lanthipeptide Toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 81 |
| Detector technology | PIXEL |
| Collection date | 2024-09-27 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.96860 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.442, 56.922, 50.824 |
| Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
| Resolution | 28.460 - 1.300 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.376 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (v5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.461 | 1.304 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.038 | 0.621 |
| Number of reflections | 80018 | 80018 |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 91.0 | |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 282 | 0.2M Ammonium Sulfate, 0.1M Sodium Acetate Trihydrate pH 4.2, 22% PEG 2000 Monomethyl ether |
