8AI3
Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters and S-adenosyl-L-methionine 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 | 2017-10-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.260, 93.110, 127.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.270 - 2.100 |
R-factor | 0.1957 |
Rwork | 0.195 |
R-free | 0.20730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Fe-SAD Exprimental model |
RMSD bond length | 0.008 |
RMSD bond angle | 0.870 |
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] | 46.550 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.077 | 1.891 |
Rmeas | 0.082 | 2.035 |
Rpim | 0.030 | 0.740 |
Number of reflections | 416209 | 28724 |
<I/σ(I)> | 12.1 | 1 |
Completeness [%] | 99.7 | |
Redundancy | 7.4 | |
CC(1/2) | 0.998 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12% (w/v) PEG 8000, 10% (v/v) Ethylene glycol, 0.1 M Hepes |