+Open data
-Basic information
Entry | Database: PDB / ID: 1ee0 | ||||||
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Title | 2-PYRONE SYNTHASE COMPLEXED WITH ACETOACETYL-COA | ||||||
Components | 2-PYRONE SYNTHASE | ||||||
Keywords | TRANSFERASE / polyketide synthase / thiolase fold | ||||||
Function / homology | Function and homology information acyltransferase activity, transferring groups other than amino-acyl groups / biosynthetic process / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups Similarity search - Function | ||||||
Biological species | Gerbera hybrid cultivar (plant) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.05 Å | ||||||
Authors | Jez, J.M. / Austin, M.B. / Ferrer, J. / Bowmann, M.E. / Schroeder, J. / Noel, J.P. | ||||||
Citation | Journal: Chem.Biol. / Year: 2000 Title: Structural control of polyketide formation in plant-specific polyketide synthases. Authors: Jez, J.M. / Austin, M.B. / Ferrer, J. / Bowman, M.E. / Schroder, J. / Noel, J.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ee0.cif.gz | 164.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ee0.ent.gz | 136.2 KB | Display | PDB format |
PDBx/mmJSON format | 1ee0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ee/1ee0 ftp://data.pdbj.org/pub/pdb/validation_reports/ee/1ee0 | HTTPS FTP |
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-Related structure data
Related structure data | |
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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
#1: Protein | Mass: 43833.496 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gerbera hybrid cultivar (plant) / Production host: Escherichia coli (E. coli) / References: UniProt: P48391, chalcone synthase #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.75 Å3/Da / Density % sol: 55.35 % | |||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 1.5 M ammonium sulfate, 50 mM succinic acid (pH 5.5), 2 mM dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 277K | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 105 K |
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Diffraction source | Source: ROTATING ANODE / Type: MACSCIENCE / Wavelength: 1.5418 |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Sep 17, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.051→41.885 Å / Num. all: 61748 / Num. obs: 60757 / % possible obs: 98.2 % / Observed criterion σ(F): 0.01 / Observed criterion σ(I): 0 / Redundancy: 2.95 % / Biso Wilson estimate: 24.317 Å2 / Rmerge(I) obs: 0.042 / Net I/σ(I): 10.9 |
Reflection shell | Resolution: 2.05→2.09 Å / Redundancy: 2.97 % / Rmerge(I) obs: 0.206 / Num. unique all: 3016 / % possible all: 98.1 |
Reflection | *PLUS Num. measured all: 179623 |
Reflection shell | *PLUS % possible obs: 98.1 % / Mean I/σ(I) obs: 4.5 |
-Processing
Software |
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Refinement | Resolution: 2.05→42 Å / σ(F): 0.01 / σ(I): 0
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Refinement step | Cycle: LAST / Resolution: 2.05→42 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS % reflection Rfree: 5 % / Rfactor obs: 0.192 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |