21XG
Multinuclear iron enzymes expand RiPP chemical diversity to enable bacterial oxidative stress defense
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 VENTURE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2025-12-24 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 37.304, 62.230, 78.507 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.420 - 2.000 |
| R-factor | 0.2271 |
| Rwork | 0.225 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.924 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | PHENIX (2.0_5885) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.443 |
| Number of reflections | 6465 | 864 |
| <I/σ(I)> | 11.04 | 2.41 |
| Completeness [%] | 99.8 | |
| Redundancy | 5.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Ammonium sulfate, 0.1 M Sodium acetate trihydrate pH 4.6, and 30% (w/v) PEG monomethyl ether 2,000 |
