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Yorodumi- PDB-6aul: Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6aul | ||||||
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Title | Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b | ||||||
Components | Streptavidin | ||||||
Keywords | BIOTIN-BINDING PROTEIN / streptavidin / biotin / artificial metalloprotein / Co4O4 / photosynthesis / water oxidation / biomimetic | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Streptomyces avidinii (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.36 Å | ||||||
Authors | Olshansky, L. / Vallapurakal, J. / Huerta-Lavorie, R. / Nguyen, A.I. / Tilley, T.D. / Borovik, A.S. | ||||||
Funding support | United States, 1items
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Citation | Journal: J. Am. Chem. Soc. / Year: 2018 Title: Artificial Metalloproteins Containing Co Authors: Olshansky, L. / Huerta-Lavorie, R. / Nguyen, A.I. / Vallapurackal, J. / Furst, A. / Tilley, T.D. / Borovik, A.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6aul.cif.gz | 41.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6aul.ent.gz | 27.2 KB | Display | PDB format |
PDBx/mmJSON format | 6aul.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/au/6aul ftp://data.pdbj.org/pub/pdb/validation_reports/au/6aul | HTTPS FTP |
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-Related structure data
Related structure data | 6aucC 6aueC 6auhC 6auoC 2qcbS 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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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 16587.025 Da / Num. of mol.: 1 / Mutation: E101Q, S112Y, K121A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces avidinii (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: P22629 |
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#2: Chemical | ChemComp-BTN / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.31 Å3/Da / Density % sol: 46.83 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 2.6 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 1 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 28, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.36→37.33 Å / Num. obs: 33716 / % possible obs: 99.4 % / Redundancy: 10.2 % / CC1/2: 0.996 / Rmerge(I) obs: 0.063 / Net I/σ(I): 14.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2QCB Resolution: 1.36→37.33 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.97 / SU B: 0.887 / SU ML: 0.035 / Cross valid method: THROUGHOUT / ESU R: 0.048 / ESU R Free: 0.049 / 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: 19.701 Å2
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Refinement step | Cycle: 1 / Resolution: 1.36→37.33 Å
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Refine LS restraints |
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