Nature - USA (2020-08-20)

abb

equilibrate production (500 ns)equilibrateproduction (500 ns)

Run 1A:

starting from 2.0 Å X-ray

LPS-PbgA

Run 2A: starting from 2.0 Å X-ray

PbgA-only

from last snapshotLPS removed Run 1B

into last snapshotLPS added Run 2B

grey:

purple:

green:

PD

IFD

TMD

starting X-ray

500 ns Run 1A

500 ns Run 2A

starting X-ray

500 ns Run 1B

500 ns Run 2B

a

grey:

cyan:

purple:

yellow:

C2, LCP, 2.0 Å resolution (this study)

P3 1 , LCP, 4.6 Å resolution (this study)

P2P2 1 , DDM, 2.0 Å resolution (PDB 6V8Q, chain A)

1 , DDM, 2.0 Å resolution (PDB 6V8Q, chain B)

cd

green:

blue:purple:

PbgA-PD (this study)

LtaS-ECD (extracellular domain, PDB 2W5QMCR1-PD (PDB 5GGR ) )

e

cytoplasm

inner

membrane

peripalsm

~30 Å

green:

orange:

PbgA-PD (this study)

EptA-PD (PDB 5FGN)

PD-based

alignment

green:

orange:

PbgA-TMD (this study)

EptA-TMD (PDB 5FGN)

TMD-based

alignment

TM1

TM2

TM3

TM4

TM5

Extended Data Fig. 3 | See next page for caption.