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Open data
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Basic information
Entry | Database: PDB / ID: 6axo | ||||||
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Title | F96S Epi-isozizaene synthase | ||||||
![]() | Epi-isozizaene synthase | ||||||
![]() | LYASE / Terpenoid Cyclase | ||||||
Function / homology | ![]() epi-isozizaene synthase / epi-isozizaene synthase activity / terpene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Blank, P.N. / Barrow, G.H. / Christianson, D.W. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes. Authors: Blank, P.N. / Barrow, G.H. / Chou, W.K.W. / Duan, L. / Cane, D.E. / Christianson, D.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 83.5 KB | Display | ![]() |
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PDB format | ![]() | 59.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 425.1 KB | Display | ![]() |
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Full document | ![]() | 427.2 KB | Display | |
Data in XML | ![]() | 14.9 KB | Display | |
Data in CIF | ![]() | 21.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6ax9C ![]() 6axmC ![]() 6axnC ![]() 6axuC ![]() 3kb9S S: Starting model for refinement C: citing same article ( |
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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: 43655.914 Da / Num. of mol.: 1 / Mutation: F96S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC BAA-471 / A3(2) / M145 / Gene: cyc1, SCO5222, SC7E4.19 / Production host: ![]() ![]() |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 45.11 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop Details: 1.0 M ammonium citrate tribasic (pH 7.0), 0.1M bis-Tris propane (pH 7.0) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Apr 9, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→62.67 Å / Num. obs: 23391 / % possible obs: 98.7 % / Redundancy: 6.2 % / Net I/σ(I): 6.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 3KB9 Resolution: 2.1→62.668 Å / SU ML: 0.19 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.68
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→62.668 Å
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Refine LS restraints |
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LS refinement shell |
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