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Open data
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Basic information
Entry | Database: PDB / ID: 8fu5 | ||||||
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Title | Crystal structure of Fe-CAO1 in complex with piceatannol | ||||||
![]() | Carotenoid oxygenase | ||||||
![]() | OXIDOREDUCTASE/SUBSTRATE / non-heme iron / beta propeller / stilbene / dioxygenase / oxidoreductase / OXIDOREDUCTASE-SUBSTRATE complex | ||||||
Function / homology | Carotenoid oxygenase / Retinal pigment epithelial membrane protein / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / metal ion binding / BENZOIC ACID / : / PICEATANNOL / Carotenoid oxygenase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kiser, P.D. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of Fe-CAO1 in complex with piceatannol Authors: Kiser, P.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 452 KB | Display | ![]() |
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PDB format | ![]() | 365 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.8 MB | Display | ![]() |
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Full document | ![]() | 2.8 MB | Display | |
Data in XML | ![]() | 88.3 KB | Display | |
Data in CIF | ![]() | 132.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 59497.934 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-FE2 / #3: Chemical | ChemComp-PIT / #4: Chemical | ChemComp-BEZ / #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.79 Å3/Da / Density % sol: 55.92 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 0.1 M HEPES-NaOH pH 7, 42% sodium polyacrylate 2100 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 29, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 2.01→50 Å / Num. obs: 179310 / % possible obs: 99.8 % / Redundancy: 6.8 % / CC1/2: 0.996 / Rmerge(I) obs: 0.234 / Net I/σ(I): 10.54 |
Reflection shell | Resolution: 2.01→2.13 Å / Redundancy: 6.8 % / Rmerge(I) obs: 2.067 / Mean I/σ(I) obs: 1.18 / Num. unique obs: 28387 / CC1/2: 0.456 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.7 Å / Shrinkage radii: 0.7 Å / VDW probe radii: 1.1 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.755 Å2
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Refinement step | Cycle: 1 / Resolution: 2.01→49.36 Å
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