+Open data
-Basic information
Entry | Database: PDB / ID: 8pxh | ||||||
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Title | Structure of TauA from E. coli, solved at wavelength 2.375 A | ||||||
Components | Taurine ABC transporter substrate-binding protein | ||||||
Keywords | TRANSPORT PROTEIN / aurine ABC transporter substrate binding protein TauA | ||||||
Function / homology | Function and homology information transmembrane transporter activity / ATP-binding cassette (ABC) transporter complex / periplasmic space Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.77 Å | ||||||
Authors | El Omari, K. / Duman, R. / Mykhaylyk, V. / Orr, C. / Qu, F. / Beis, K. / Wagner, A. | ||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Commun Chem / Year: 2023 Title: Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Authors: El Omari, K. / Duman, R. / Mykhaylyk, V. / Orr, C.M. / Latimer-Smith, M. / Winter, G. / Grama, V. / Qu, F. / Bountra, K. / Kwong, H.S. / Romano, M. / Reis, R.I. / Vogeley, L. / Vecchia, L. / ...Authors: El Omari, K. / Duman, R. / Mykhaylyk, V. / Orr, C.M. / Latimer-Smith, M. / Winter, G. / Grama, V. / Qu, F. / Bountra, K. / Kwong, H.S. / Romano, M. / Reis, R.I. / Vogeley, L. / Vecchia, L. / Owen, C.D. / Wittmann, S. / Renner, M. / Senda, M. / Matsugaki, N. / Kawano, Y. / Bowden, T.A. / Moraes, I. / Grimes, J.M. / Mancini, E.J. / Walsh, M.A. / Guzzo, C.R. / Owens, R.J. / Jones, E.Y. / Brown, D.G. / Stuart, D.I. / Beis, K. / Wagner, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8pxh.cif.gz | 133.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8pxh.ent.gz | 101.7 KB | Display | PDB format |
PDBx/mmJSON format | 8pxh.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/px/8pxh ftp://data.pdbj.org/pub/pdb/validation_reports/px/8pxh | HTTPS FTP |
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-Related structure data
Related structure data | 8pwnC 8px0C 8px1C 8px4C 8px5C 8px7C 8px9C 8pxcC 8pxgC 8pxjC 8pxkC 8pxlC 8pyvC 8pyzC 8pz4C 8pz5C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 32010.322 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: tauA / Production host: Escherichia coli (E. coli) / References: UniProt: C3TMR2 #2: Chemical | #3: Chemical | ChemComp-IOD / #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.54 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.25 M sodium iodide, 0.1 M Bis-Tris propane, 24% (w/v) PEG 3350 + 10 mM ACES |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I23 / Wavelength: 2.375 Å |
Detector | Type: DECTRIS PILATUS 12M / Detector: PIXEL / Date: Aug 3, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 2.375 Å / Relative weight: 1 |
Reflection | Resolution: 1.77→82.51 Å / Num. obs: 45258 / % possible obs: 85.68 % / Redundancy: 19.4 % / Biso Wilson estimate: 27.89 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.1341 / Rpim(I) all: 0.02973 / Rrim(I) all: 0.1376 / Net I/σ(I): 15.63 |
Reflection shell | Resolution: 1.77→1.833 Å / Redundancy: 16.9 % / Rmerge(I) obs: 0.8778 / Mean I/σ(I) obs: 2.65 / Num. unique obs: 3837 / CC1/2: 0.777 / % possible all: 73.52 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.77→82.51 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.946 / SU B: 3.681 / SU ML: 0.109 / Cross valid method: THROUGHOUT / ESU R: 0.173 / ESU R Free: 0.147 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.984 Å2
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Refinement step | Cycle: 1 / Resolution: 1.77→82.51 Å
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