+Open data
-Basic information
Entry | Database: PDB / ID: 5yy3 | ||||||
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Title | Crystal structure of AsqI | ||||||
Components | Uncharacterized protein AsqI | ||||||
Keywords | METAL BINDING PROTEIN / hemocyanin like protein / aspoquinolone biosynthesis / secondary metabolism | ||||||
Function / homology | Function and homology information Lyases; Carbon-carbon lyases; Other carbon-carbon lyases / monooxygenase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Emericella nidulans (mold) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.305 Å | ||||||
Authors | Hara, K. / Hashimoto, H. / Kishimoto, S. / Watanabe, K. | ||||||
Citation | Journal: Nat Commun / Year: 2018 Title: Enzymatic one-step ring contraction for quinolone biosynthesis. Authors: Kishimoto, S. / Hara, K. / Hashimoto, H. / Hirayama, Y. / Champagne, P.A. / Houk, K.N. / Tang, Y. / Watanabe, K. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5yy3.cif.gz | 139.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5yy3.ent.gz | 104 KB | Display | PDB format |
PDBx/mmJSON format | 5yy3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yy/5yy3 ftp://data.pdbj.org/pub/pdb/validation_reports/yy/5yy3 | HTTPS FTP |
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-Related structure data
-Links
-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
#1: Protein | Mass: 85640.617 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (mold) Strain: FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139 / Gene: ANIA_11193 / Production host: Escherichia coli (E. coli) / References: UniProt: C8VJQ3 |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.96 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: PEG 8000, Amino acids, Tris/Bichine pH 8.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.98 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Apr 15, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→19.912 Å / Num. obs: 35085 / % possible obs: 98.9 % / Redundancy: 6.7 % / CC1/2: 0.998 / Net I/σ(I): 15.22 |
Reflection shell | Resolution: 2.3→2.38 Å / Num. unique obs: 5482 / CC1/2: 0.815 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.305→19.912 Å / SU ML: 0.24 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.74
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.305→19.912 Å
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Refine LS restraints |
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LS refinement shell |
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