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Yorodumi- PDB-1di1: CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQU... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1di1 | ||||||
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Title | CRYSTAL STRUCTURE OF ARISTOLOCHENE SYNTHASE FROM PENICILLIUM ROQUEFORTI | ||||||
Components | ARISTOLOCHENE SYNTHASE | ||||||
Keywords | LYASE / SESQUITERPENE CYCLASE / ISOPRENOID BIOSYNTHESIS | ||||||
Function / homology | Function and homology information aristolochene synthase / aristolochene synthase activity / small molecule metabolic process / metal ion binding Similarity search - Function | ||||||
Biological species | Penicillium roqueforti (fungus) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.5 Å | ||||||
Authors | Caruthers, J.M. / Kang, I. / Cane, D.E. / Christianson, D.W. / Rynkiewicz, M.J. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2000 Title: Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti. Authors: Caruthers, J.M. / Kang, I. / Rynkiewicz, M.J. / Cane, D.E. / Christianson, D.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1di1.cif.gz | 130.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1di1.ent.gz | 103.4 KB | Display | PDB format |
PDBx/mmJSON format | 1di1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1di1_validation.pdf.gz | 370.8 KB | Display | wwPDB validaton report |
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Full document | 1di1_full_validation.pdf.gz | 379.6 KB | Display | |
Data in XML | 1di1_validation.xml.gz | 12.8 KB | Display | |
Data in CIF | 1di1_validation.cif.gz | 20.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/di/1di1 ftp://data.pdbj.org/pub/pdb/validation_reports/di/1di1 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 34497.211 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Penicillium roqueforti (fungus) / Plasmid: PZW04 / Production host: Escherichia coli (E. coli) / References: UniProt: Q03471, EC: 4.1.99.7 #2: 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 grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.5M NACL, 4% PEG6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||
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Crystal | *PLUS Density % sol: 72 % | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 150 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12B / Wavelength: 0.71069 |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Mar 25, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.71069 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. all: 166088 / Num. obs: 46972 / % possible obs: 90.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Biso Wilson estimate: 39 Å2 / Rmerge(I) obs: 0.074 / Net I/σ(I): 16 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.395 / % possible all: 86 |
Reflection | *PLUS Num. measured all: 166088 |
Reflection shell | *PLUS % possible obs: 86 % |
-Processing
Software |
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Refinement | Resolution: 2.5→20 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 2.5→20 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.5 Å / Lowest resolution: 20 Å / σ(F): 0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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