No bridge between us: EXAFS and computations confirm two distant iron ions comprise the active site of alkane monooxygenase (AlkB)

This dataset contains computational data for the paper "No bridge between us: EXAFS and computations confirm two distant iron ions comprise the active site of alkane monooxygenase (AlkB)". All computations in this repository were performed by Clorice Reinhardt, a Arnold O. Beckman Postdoctoral Fellow in the Chemical Sciences in Prof. Heather Kulik's lab at MIT, and EXAFS data uploaded was analyzed and prepared for this repository by Christopher J. Pollock