+Open data
-Basic information
Entry | Database: PDB / ID: 1eyq | ||||||
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Title | Chalcone isomerase and naringenin | ||||||
Components | CHALCONE-FLAVONONE ISOMERASE 1 | ||||||
Keywords | ISOMERASE / chalcone isomerase / flavonoid | ||||||
Function / homology | Function and homology information chalcone isomerase / chalcone isomerase activity / flavonoid biosynthetic process Similarity search - Function | ||||||
Biological species | Medicago sativa (alfalfa) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.85 Å | ||||||
Authors | Jez, J.M. / Bowman, M.E. / Dixon, R.A. / Noel, J.P. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 2000 Title: Structure and mechanism of the evolutionarily unique plant enzyme chalcone isomerase. Authors: Jez, J.M. / Bowman, M.E. / Dixon, R.A. / 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 | 1eyq.cif.gz | 100.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1eyq.ent.gz | 77.7 KB | Display | PDB format |
PDBx/mmJSON format | 1eyq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1eyq_validation.pdf.gz | 1009.7 KB | Display | wwPDB validaton report |
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Full document | 1eyq_full_validation.pdf.gz | 1019.8 KB | Display | |
Data in XML | 1eyq_validation.xml.gz | 23.3 KB | Display | |
Data in CIF | 1eyq_validation.cif.gz | 33.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ey/1eyq ftp://data.pdbj.org/pub/pdb/validation_reports/ey/1eyq | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 23851.236 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Medicago sativa (alfalfa) / Plasmid: PET28B / Production host: Escherichia coli (E. coli) / References: UniProt: P28012, chalcone isomerase #2: Chemical | ChemComp-SO4 / #3: Chemical | #4: 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: 4.16 Å3/Da / Density % sol: 70.44 % | ||||||||||||||||||||
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Crystal grow | Temperature: 302 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 25% glycerol, 1.8 M ammonium sulfate, 0.05 M PIPES, 5% ethanol, 2.5 mM naringenin, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 302K | ||||||||||||||||||||
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: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.95 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 12, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.95 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→46.7 Å / Num. all: 697121 / Num. obs: 60531 / % possible obs: 85.6 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 11.5 % / Biso Wilson estimate: 48.1 Å2 / Rmerge(I) obs: 0.048 / Net I/σ(I): 28 |
Reflection shell | Resolution: 1.85→1.88 Å / Redundancy: 2 % / Rmerge(I) obs: 0.65 / Num. unique all: 2085 / % possible all: 60.6 |
Reflection | *PLUS Num. measured all: 697121 |
Reflection shell | *PLUS % possible obs: 60.6 % / Mean I/σ(I) obs: 2 |
-Processing
Software |
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Refinement | Resolution: 1.85→46.7 Å / σ(F): 2 / σ(I): 2
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Refinement step | Cycle: LAST / Resolution: 1.85→46.7 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 46.7 Å / σ(F): 2 / Rfactor obs: 0.208 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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