Skip to main content
. 2020 Feb 6;11:741. doi: 10.1038/s41467-020-14537-0

Fig. 3. Off-state structure.

Fig. 3

Chromophore (HBI) and its neighboring residues in the rsEGFP2 laser_off structure determined by SFX without pump-laser activation are shown. a The initial laser-off model consists of a mixture of the off-state conformer (light gray carbon trace) and the residual on-state conformer (yellow carbon trace) with occupancies of 90% and 10%, respectively. 2Fobslaser_off–Fcalclaser_off (blue) and Fobslaser_off–Fcalclaser_off (green/red) maps at 1.6 Å resolution are displayed at 1σ and ±3σ, respectively. A positive Fobslaser_off –Fcalclaser_off peak between the trans (gray) and the cis (yellow) chromophores suggests the presence of an additional conformer. b Result of ensemble refinements against the laser_off dataset starting for the off-state model (chromophore 100% trans1). A third chromophore conformation and a third rotamer of His149 are revealed. (c) The final laser-off model features triple conformations of His149 and of the chromophore, i.e. His149-off and trans1 (light gray), His149-on and cis (yellow) and the additional His149-supp and trans2 (dark gray) conformations, at 65%, 10% and 25% occupancy, respectively. 2Fobslaser_off–Fcalclaser_off (blue) and Fobslaser_off–Fcalclaser_off (green/red) maps calculated from the laser-off dataset at 1.6 Å resolution are displayed at 1σ and ±3σ, respectively.