+Open data
-Basic information
Entry | Database: PDB / ID: 5dl8 | ||||||
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Title | Crystal structure of Acinetobacter baumannii OccAB4 | ||||||
Components | Benzoate transport porin BenP | ||||||
Keywords | MEMBRANE PROTEIN / outer membrane protein / beta-barrel / antibiotic uptake / Acinetobacter baumannii | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Acinetobacter baumannii AB307-0294 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Zahn, M. / Basle, A. / van den Berg, B. | ||||||
Citation | Journal: Structure / Year: 2016 Title: Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii. Authors: Zahn, M. / Bhamidimarri, S.P. / Basle, A. / Winterhalter, M. / van den Berg, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5dl8.cif.gz | 337.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5dl8.ent.gz | 275.2 KB | Display | PDB format |
PDBx/mmJSON format | 5dl8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dl/5dl8 ftp://data.pdbj.org/pub/pdb/validation_reports/dl/5dl8 | HTTPS FTP |
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-Related structure data
Related structure data | 5dl5C 5dl6C 5dl7C 3sysS 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: 46905.039 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Acinetobacter baumannii AB307-0294 (bacteria) Gene: benP1, ABUW_1854 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0D5YI36 #2: Chemical | ChemComp-C8E / ( #3: Chemical | ChemComp-CA / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 4.18 Å3/Da / Density % sol: 70.56 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 20% PEG 4000 0.1 M potassium chloride 0.02 M Tris pH 7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.92 Å |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Jul 3, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→67.62 Å / Num. obs: 80260 / % possible obs: 99.8 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.126 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 2.2→2.24 Å / Redundancy: 6.4 % / Rmerge(I) obs: 0.789 / Mean I/σ(I) obs: 2.2 / % possible all: 99.7 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3SYS Resolution: 2.2→50.01 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.895 / SU B: 9.969 / SU ML: 0.128 / Cross valid method: THROUGHOUT / ESU R: 0.168 / ESU R Free: 0.163 / 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: 34.98 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→50.01 Å
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Refine LS restraints |
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