8AI5
Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 6 bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.980, 92.520, 127.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.260 - 2.150 |
| R-factor | 0.2016 |
| Rwork | 0.201 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fe-SAD experimental model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.610 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.071 | 2.909 |
| Rmeas | 0.074 | 3.022 |
| Rpim | 0.019 | 0.815 |
| Number of reflections | 775084 | 51591 |
| <I/σ(I)> | 18.9 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 15 | |
| CC(1/2) | 1.000 | 0.525 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 15% (w/v) PEG 1000, 100 mM Tris |
