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Open data
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Basic information
Entry | Database: PDB / ID: 6qyi | ||||||
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Title | Structure of HPAB from E.coli in complex with FAD | ||||||
![]() | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | ||||||
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Function / homology | ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pecqueur, L. / Lombard, M. / Deng, Y. / Fontecave, M. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli. Authors: Deng, Y. / Faivre, B. / Back, O. / Lombard, M. / Pecqueur, L. / Fontecave, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 445.7 KB | Display | ![]() |
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PDB format | ![]() | 363.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 58959.629 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Gene: hpaB, CR538_21835, DS732_04180, NCTC9045_04991, NCTC9117_05338 Plasmid: pET-22b / Production host: ![]() ![]() ![]() References: UniProt: A0A2G8ZEZ1, UniProt: Q57160*PLUS, ![]() |
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-Non-polymers , 5 types, 745 molecules ![](data/chem/img/FAD.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EPE.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PGE.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/EPE.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ![]() #3: Chemical | ChemComp-PGE / ![]() #4: Chemical | ChemComp-PEG / ![]() #5: Chemical | ChemComp-EPE / | ![]() #6: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.53 Å3/Da / Density % sol: 65 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: HEPES 0.1M pH 7.5 PEG 400 30% (w/v) CaCl2 0.2 M MgCl2 0.1-0.2M |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jun 29, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→115.064 Å / Num. obs: 155091 / % possible obs: 100 % / Redundancy: 14.78 % / Biso Wilson estimate: 32.58 Å2 / CC1/2: 0.9989 / Rmerge(I) obs: 0.164 / Rpim(I) all: 0.044 / Rrim(I) all: 0.17 / Net I/σ(I): 11.554 |
Reflection shell | Resolution: 1.801→1.832 Å / Redundancy: 14.6 % / Rmerge(I) obs: 3.926 / Mean I/σ(I) obs: 0.773 / Num. unique obs: 7637 / CC1/2: 0.348 / Rpim(I) all: 1.048 / Rrim(I) all: 4.065 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Displacement parameters | Biso mean: 35.91 Å2
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Refine analyze | Luzzati coordinate error obs: 0.22 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: 1 / Resolution: 1.8→26.09 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.81 Å / Total num. of bins used: 50
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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