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 |