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Open data
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Basic information
Entry | Database: PDB / ID: 3a5q | ||||||
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Title | Benzalacetone synthase from Rheum palmatum | ||||||
![]() | Benzalacetone synthase | ||||||
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Function / homology | ![]() benzalacetone synthase / flavonoid biosynthetic process / polyketide biosynthetic process / acyltransferase activity, transferring groups other than amino-acyl groups / protein homodimerization activity Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Morita, H. / Kato, R. / Abe, I. / Sugio, S. / Kohno, T. | ||||||
![]() | ![]() Title: A structure-based mechanism for benzalacetone synthase from Rheum palmatum Authors: Morita, H. / Shimokawa, Y. / Tanio, M. / Kato, R. / Noguchi, H. / Sugio, S. / Kohno, T. / Abe, I. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 161.5 KB | Display | ![]() |
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PDB format | ![]() | 127.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3a5rC ![]() 3a5sC ![]() 1bq6S C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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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: 42485.941 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() #2: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.44 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.6 Details: 16% PEG8000, 0.1M sodium citrate, 0.15M potassium thiocyanate, pH5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RIGAKU RAXIS V / Detector: IMAGE PLATE / Date: Nov 29, 2007 |
Radiation | Monochromator: bending magnet / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.8→30 Å / Num. all: 69819 / Num. obs: 69819 / % possible obs: 98.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Rsym value: 0.096 / Net I/σ(I): 25.4 |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 3.8 % / Mean I/σ(I) obs: 7.5 / Num. unique all: 6860 / Rsym value: 0.267 / % possible all: 97.3 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1BQ6 Resolution: 1.8→30 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.8→30 Å
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