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- PDB-5tv4: 3D cryo-EM reconstruction of nucleotide-free MsbA in lipid nanodisc -

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Database: PDB / ID: 5tv4
Title3D cryo-EM reconstruction of nucleotide-free MsbA in lipid nanodisc
DescriptorLipid A export ATP-binding/permease protein MsbA
KeywordsHYDROLASE / ABC transporter / LPS / flippase / nanodisc
Specimen sourceEscherichia coli o157:h7 / bacteria / image: Escherichia coli
MethodElectron microscopy (4.2 Å resolution / Particle / Single particle)
AuthorsMi, W. / Walz, T. / Liao, M.
CitationNature, 2017, 549, 233-237

Nature, 2017, 549, 233-237 Yorodumi Papers
Structural basis of MsbA-mediated lipopolysaccharide transport.
Wei Mi / Yanyan Li / Sung Hwan Yoon / Robert K Ernst / Thomas Walz / Maofu Liao

Validation Report
SummaryFull reportAbout validation report
DateDeposition: Nov 8, 2016 / Release: Sep 20, 2017
RevisionDateData content typeGroupCategoryItemProviderType
1.0Sep 20, 2017Structure modelrepositoryInitial release
1.1Sep 27, 2017Structure modelDatabase referencescitation_citation.journal_volume / _citation.page_first / _citation.page_last
1.2Nov 8, 2017Structure modelDerived calculationspdbx_struct_assembly_pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details

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Deposited unit
A: Lipid A export ATP-binding/permease protein MsbA
B: Lipid A export ATP-binding/permease protein MsbA
hetero molecules

Theoretical massNumber of molelcules
Total (without water)137,87219

TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area (Å2)11620
ΔGint (kcal/M)-12
Surface area (Å2)58400


Polypeptide(L) , 1 types, 2 molecules AB

#1: Polypeptide(L)Lipid A export ATP-binding/permease protein MsbA

Mass: 67310.445 Da / Num. of mol.: 2 / Source: (gene. exp.) Escherichia coli O157:H7 / References: UniProt: P60753, EC: 3.6.3.-

Non-polymers , 7 types, 17 molecules

#2: ChemicalChemComp-PA1 / 2-amino-2-deoxy-alpha-D-glucopyranose

Mass: 179.171 Da / Num. of mol.: 2 / Formula: C6H13NO5

Mass: 238.192 Da / Num. of mol.: 2 / Formula: C8H14O8

Mass: 210.182 Da / Num. of mol.: 3 / Formula: C7H14O7
#5: Chemical

Mass: 94.971 Da / Num. of mol.: 4 / Formula: PO4
#6: Chemical

Mass: 244.370 Da / Num. of mol.: 4 / Formula: C14H28O3
#7: ChemicalChemComp-MYR / MYRISTIC ACID

Mass: 228.371 Da / Num. of mol.: 1 / Formula: C14H28O2
#8: ChemicalChemComp-DAO / LAURIC ACID

Mass: 200.318 Da / Num. of mol.: 1 / Formula: C12H24O2

Experimental details


EM experimentAggregation state: PARTICLE / Reconstruction method: SINGLE PARTICLE

Sample preparation

ComponentName: MsbA reconstituted in lipid nanodisc / Type: COMPLEX / Entity ID: 1 / Source: RECOMBINANT
Source (natural)Organism: Escherichia coli
Source (recombinant)Organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG' / Plasmid: pET-19a
Buffer solutionpH: 7.4
SpecimenEmbedding applied: NO / Shadowing applied: NO / Staining applied: NO / Vitrification applied: YES
VitrificationCryogen name: ETHANE

Electron microscopy imaging

Experimental equipment
Model: Tecnai Polara / Image courtesy: FEI Company
MicroscopyMicroscope model: FEI POLARA 300
Electron gunElectron source: FIELD EMISSION GUN / Accelerating voltage: 300 kV / Illumination mode: FLOOD BEAM
Electron lensMode: BRIGHT FIELD
Image recordingElectron dose: 47 e/Å2 / Film or detector model: GATAN K2 SUMMIT (4k x 4k)


SoftwareName: PHENIX / Version: 1.10.1_2155: / Classification: refinement
EM software
IDNameVersionCategoryImage processing ID
SymmetryPoint symmetry: C1
3D reconstructionResolution: 4.2 Å / Resolution method: FSC 0.143 CUT-OFF / Number of particles: 67220 / Symmetry type: POINT
Least-squares processHighest resolution: 4.2 Å
Refine LS restraints
Refine IDTypeDev idealNumber
ELECTRON MICROSCOPYf_bond_d0.0088970
ELECTRON MICROSCOPYf_angle_d1.24512120
ELECTRON MICROSCOPYf_dihedral_angle_d10.0377510
ELECTRON MICROSCOPYf_chiral_restr0.0621442
ELECTRON MICROSCOPYf_plane_restr0.0071538

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