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Yorodumi- PDB-6rd3: Crystal structure of the wild type OmpK36 from Klebsiella pneumonia -
+Open data
-Basic information
Entry | Database: PDB / ID: 6rd3 | ||||||
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Title | Crystal structure of the wild type OmpK36 from Klebsiella pneumonia | ||||||
Components | OmpK36 | ||||||
Keywords | MEMBRANE PROTEIN / OmpK36 WT | ||||||
Function / homology | Function and homology information porin activity / pore complex / monoatomic ion transmembrane transport / cell outer membrane Similarity search - Function | ||||||
Biological species | Klebsiella pneumoniae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.98 Å | ||||||
Authors | Beis, K. / Romano, M. / Kwong, J. | ||||||
Citation | Journal: Nat Commun / Year: 2019 Title: OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo. Authors: Wong, J.L.C. / Romano, M. / Kerry, L.E. / Kwong, H.S. / Low, W.W. / Brett, S.J. / Clements, A. / Beis, K. / Frankel, G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6rd3.cif.gz | 427.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6rd3.ent.gz | 344.3 KB | Display | PDB format |
PDBx/mmJSON format | 6rd3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rd/6rd3 ftp://data.pdbj.org/pub/pdb/validation_reports/rd/6rd3 | HTTPS FTP |
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-Related structure data
Related structure data | 6rckC 6rcpC 5o79S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 38058.918 Da / Num. of mol.: 6 / Mutation: G0 Source method: isolated from a genetically manipulated source Details: G0 is from cloning / Source: (gene. exp.) Klebsiella pneumoniae (bacteria) / Gene: ompK36 / Production host: Escherichia coli (E. coli) / Variant (production host): omp8 / References: UniProt: D6QLY0 #2: Chemical | ChemComp-C8E / ( #3: Chemical | ChemComp-MG / #4: Water | ChemComp-HOH / | |
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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: 2.77 Å3/Da / Density % sol: 55.52 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.1M Lithium sulfate, 0.1M sodium citrate pH 5.6 and 12% PEG4000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.97 Å |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Aug 8, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.98→53.2 Å / Num. obs: 169857 / % possible obs: 100 % / Redundancy: 6.9 % / CC1/2: 0.99 / Rmerge(I) obs: 0.023 / Net I/σ(I): 6.3 |
Reflection shell | Resolution: 1.98→2.01 Å / Rmerge(I) obs: 0.134 / Num. unique obs: 8440 / CC1/2: 0.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5O79 Resolution: 1.98→53.197 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.27 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.98→53.197 Å
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Refine LS restraints |
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LS refinement shell |
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