Femtosecond time-resolved PP (a) and PDP (b) TR-SFX experiment for rsKiiro in the off state with a trans neutral chromophore. For this analysis, time-resolved data with delays between ~250 fs and 1.2 ps were merged, and Q -weighted Fo(PP) – Fo(Dark) and Fo(PDP) – Fo(Dark) maps are shown (red, -3 , blue +3 ) at a resolution of 1.5 . Coordinates for the ground state are shown (yellow sticks; PDB 7QLM ). Coordinates for the PP data (white sticks, a ; PDB 7QLN ) and PDP data (cyan sticks, b ; PDB 7QLO ) were refined from extrapolated structure factors and occupancy refinement. The creation of coherence in the PP and PDP conditions follows the density matrix theory of impulsive Raman spectroscopy applied to a double-well adiabatic potential. The initial Wigner coordinate and direction relative to the nuclear binding force (momentum, p ; position, q ) are indicated by arrows. Also shown are the sequentially integrated electron densities around each atom in the protein chain (bottom), with the atoms in the chromophore highlighted in yellow.
