Science Advances

Supplementary Materials

This PDF file includes:

  • Fig. S1. Data analyses and targeted MD approach.
  • Fig. S2. Targeted MD of E1 states.
  • Fig. S3. Reaction scheme and sequential x-ray scattering differences.
  • Fig. S4. Targeted MD of E2 states.
  • Fig. S5. R-factor analyses of the membrane simulations and pre-pulse TR-XSS models.
  • Fig. S6. Solvent and membrane scattering contributions and control TR-XSS experiments.
  • Table S1. Generating difference scattering using linear combinations of calculated scattering from crystal structures of putative prepulse states.
  • Table S2. Crystal structures (and PDB IDs) corresponding to principal transient enzymatic states in the SERCA reaction cycle considered in the structural refinement.
  • Table S3. Structural similarity (RMSD) between domains.
  • Table S4. List of abbreviations.

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