8AI6
Crystal structure of radical SAM epimerase EpeE D210A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and persulfurated cysteine 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 | 2021-10-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.820, 92.250, 127.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.700 - 1.950 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fe-SAD experimental model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.930 |
| 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] | 48.700 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.130 | 2.032 |
| Rmeas | 0.135 | 2.101 |
| Rpim | 0.036 | 0.532 |
| Number of reflections | 962748 | 74413 |
| <I/σ(I)> | 13.1 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 14.7 | |
| CC(1/2) | 0.975 | 0.566 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 283 | 15% (w/v) PEG 1000, 100 mM Tris |
