On the possibility of determining the structure of proteins in experiments using X-ray free electron lasers in the nonstationary scattering mode

Abstract

The problem of determining the structure of proteins by X-ray analysis using X-ray free electron lasers at pulse intensities several orders of magnitude higher than those achieved to date is considered. In this case, due to radiation damage, the sample loses a significant fraction of its electrons during the pulse, so the scattering occurs in the nonstationary mode. In the present study, simulations are used to determine the resulting specific features of the diffraction data that should be taken into account in analysis, which, however, do not preclude determining the 3D structures. Estimates of the achievable resolutions show the prospect of using the nonstationary scattering mode for determining the structure of the most complex objects, such as large, poorly crystallizable proteins and complexes with a high resolution.