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Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
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Structure paper

Title	Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F-F coupling.
Journal, issue, pages	Science, Vol. 364, Issue 6446, Year 2019
Publish date	Jun 21, 2019
Authors	Bonnie J Murphy / Niklas Klusch / Julian Langer / Deryck J Mills / Özkan Yildiz / Werner Kühlbrandt /
PubMed Abstract	FF-adenosine triphosphate (ATP) synthases make the energy of the proton-motive force available for energy-consuming processes in the cell. We determined the single-particle cryo-electron microscopy ...FF-adenosine triphosphate (ATP) synthases make the energy of the proton-motive force available for energy-consuming processes in the cell. We determined the single-particle cryo-electron microscopy structure of active dimeric ATP synthase from mitochondria of sp. at a resolution of 2.7 to 2.8 angstroms. Separation of 13 well-defined rotary substates by three-dimensional classification provides a detailed picture of the molecular motions that accompany -ring rotation and result in ATP synthesis. Crucially, the F head rotates along with the central stalk and -ring rotor for the first ~30° of each 120° primary rotary step to facilitate flexible coupling of the stoichiometrically mismatched F and F subcomplexes. Flexibility is mediated primarily by the interdomain hinge of the conserved OSCP subunit. A conserved metal ion in the proton access channel may synchronize -ring protonation with rotation.
External links	Science / PubMed:31221832
Methods	EM (single particle)
Resolution	2.69 - 4.3 Å
Structure data	4805 6rd4 EMDB-4805, PDB-6rd4: CryoEM structure of Polytomella F-ATP synthase, Full dimer, composite map Method: EM (single particle) / Resolution: 2.9 Å 4806 6rd5 EMDB-4806, PDB-6rd5: CryoEM structure of Polytomella F-ATP synthase, focussed refinement of Fo and peripheral stalk, C2 symmetry Method: EM (single particle) / Resolution: 2.69 Å 4807 6rd6 EMDB-4807, PDB-6rd6: CryoEM structure of Polytomella F-ATP synthase, focussed refinement of upper peripheral stalk Method: EM (single particle) / Resolution: 2.75 Å 4808 6rd7 EMDB-4808, PDB-6rd7: CryoEM structure of Polytomella F-ATP synthase, c-ring position 1, focussed refinement of Fo and peripheral stalk Method: EM (single particle) / Resolution: 2.73 Å 4809 6rd8 EMDB-4809, PDB-6rd8: CryoEM structure of Polytomella F-ATP synthase, c-ring position 2, focussed refinement of Fo and peripheral stalk Method: EM (single particle) / Resolution: 3.08 Å 4810 6rd9 EMDB-4810, PDB-6rd9: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, composite map Method: EM (single particle) / Resolution: 3.0 Å 4811 6rda EMDB-4811, PDB-6rda: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, monomer-masked refinement Method: EM (single particle) / Resolution: 3.04 Å 4812 6rdb EMDB-4812, PDB-6rdb: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 1, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.8 Å 4813 6rdc EMDB-4813, PDB-6rdc: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 2, composite map Method: EM (single particle) / Resolution: 3.2 Å 4814 6rdd EMDB-4814, PDB-6rdd: Cryo-EM structure of Polytomella F-ATP synthase, Primary rotary state 2, monomer-masked refinement Method: EM (single particle) / Resolution: 3.2 Å 4815 6rde EMDB-4815, PDB-6rde: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 2, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.9 Å 4816 6rdf EMDB-4816, PDB-6rdf: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 3, monomer-masked refinement Method: EM (single particle) / Resolution: 3.2 Å 4817 6rdg EMDB-4817, PDB-6rdg: CryoEM structure of Polytomella F-ATP synthase, Primary rotary state 3, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.9 Å 4818 6rdh EMDB-4818, PDB-6rdh: CryoEM structure of Polytomella F-ATP synthase, Rotary substate 1A, composite map Method: EM (single particle) / Resolution: 3.0 Å 4819 6rdi EMDB-4819, PDB-6rdi: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, monomer-masked refinement Method: EM (single particle) / Resolution: 3.2 Å 4820 6rdj EMDB-4820, PDB-6rdj: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1A, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.9 Å 4821 6rdk EMDB-4821, PDB-6rdk: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, composite map Method: EM (single particle) / Resolution: 3.7 Å 4822 6rdl EMDB-4822, PDB-6rdl: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, monomer-masked refinement Method: EM (single particle) / Resolution: 3.7 Å 4823 6rdm EMDB-4823, PDB-6rdm: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1B, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.44 Å 4824 6rdn EMDB-4824, PDB-6rdn: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1C, monomer-masked refinement Method: EM (single particle) / Resolution: 3.2 Å 4825 6rdo EMDB-4825, PDB-6rdo: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1C, composite map Method: EM (single particle) / Resolution: 3.1 Å 4826 6rdp EMDB-4826, PDB-6rdp: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1C, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.8 Å 4827 6rdq EMDB-4827, PDB-6rdq: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1D, composite map Method: EM (single particle) / Resolution: 4.0 Å 4828 6rdr EMDB-4828, PDB-6rdr: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1D, monomer-masked refinement Method: EM (single particle) / Resolution: 4.1 Å 4829 6rds EMDB-4829, PDB-6rds: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1D, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.8 Å 4830 6rdt EMDB-4830, PDB-6rdt: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, composite map Method: EM (single particle) / Resolution: 3.4 Å 4831 6rdu EMDB-4831, PDB-6rdu: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, monomer-masked refinement Method: EM (single particle) / Resolution: 3.5 Å 4832 6rdv EMDB-4832, PDB-6rdv: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.1 Å 4833 6rdw EMDB-4833, PDB-6rdw: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, composite map Method: EM (single particle) / Resolution: 3.8 Å 4834 6rdx EMDB-4834, PDB-6rdx: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, monomer-masked refinement Method: EM (single particle) / Resolution: 3.9 Å 4835 6rdy EMDB-4835, PDB-6rdy: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1F, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.6 Å 4836 6rdz EMDB-4836, PDB-6rdz: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, composite map Method: EM (single particle) / Resolution: 3.5 Å 4837 6re0 EMDB-4837, PDB-6re0: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, monomer-masked refinement Method: EM (single particle) / Resolution: 3.6 Å 4838 6re1 EMDB-4838, PDB-6re1: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2A, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.2 Å 4839 6re2 EMDB-4839, PDB-6re2: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2B, composite map Method: EM (single particle) / Resolution: 3.2 Å 4840 6re3 EMDB-4840, PDB-6re3: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2B, monomer-masked refinement Method: EM (single particle) / Resolution: 3.3 Å 4841 6re4 EMDB-4841, PDB-6re4: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2B, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.0 Å 4842 6re5 EMDB-4842, PDB-6re5: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2C, composite map Method: EM (single particle) / Resolution: 3.2 Å 4843 6re6 EMDB-4843, PDB-6re6: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2C, monomer-masked refinement Method: EM (single particle) / Resolution: 3.4 Å 4844 6re7 EMDB-4844, PDB-6re7: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2C, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.1 Å 4845 6re8 EMDB-4845, PDB-6re8: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2D, composite map Method: EM (single particle) / Resolution: 3.8 Å 4846 6re9 EMDB-4846, PDB-6re9: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2D, monomer-masked refinement Method: EM (single particle) / Resolution: 3.9 Å 4847 6rea EMDB-4847, PDB-6rea: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 2D, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.6 Å 4848 6reb EMDB-4848, PDB-6reb: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, composite map Method: EM (single particle) / Resolution: 3.2 Å 4849 6rec EMDB-4849, PDB-6rec: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, monomer-masked refinement Method: EM (single particle) / Resolution: 3.3 Å 4850 6red EMDB-4850, PDB-6red: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 3.0 Å 4851 6ree EMDB-4851, PDB-6ree: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, composite map Method: EM (single particle) / Resolution: 3.1 Å 4852 6ref EMDB-4852, PDB-6ref: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, monomer-masked refinement Method: EM (single particle) / Resolution: 3.3 Å 4853 6rep EMDB-4853, PDB-6rep: Cryo-EM structure of Polytomella F-ATP synthase, Primary rotary state 3, composite map Method: EM (single particle) / Resolution: 3.1 Å 4854 6rer EMDB-4854, PDB-6rer: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3B, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 2.9 Å 4855 6res EMDB-4855, PDB-6res: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3C, composite map Method: EM (single particle) / Resolution: 4.3 Å 4856 6ret EMDB-4856, PDB-6ret: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3C, monomer-masked refinement Method: EM (single particle) / Resolution: 4.3 Å 4857 6reu EMDB-4857, PDB-6reu: Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3C, focussed refinement of F1 head and rotor Method: EM (single particle) / Resolution: 4.2 Å
Chemicals	ChemComp-ZN: Unknown entry ChemComp-ATP: ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying moleculeYM / Adenosine triphosphate ChemComp-MG: Unknown entry ChemComp-ADP: ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying moleculeYM / Adenosine diphosphate ChemComp-HOH: WATER / Water ChemComp-PEV: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE / POPE, phospholipidYM / Phosphatidylethanolamine ChemComp-LMT: DODECYL-BETA-D-MALTOSIDE / detergentYM
Source	polytomella sp. pringsheim 198.80 (plant)
Keywords	PROTON TRANSPORT / mitochondrial ATP synthase dimer flexible coupling cryoEM

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