+Open data
-Basic information
Entry | Database: PDB / ID: 6ax9 | ||||||
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Title | F95N Epi-isozizaene synthase | ||||||
Components | Epi-isozizaene synthase | ||||||
Keywords | LYASE / Terpenoid Cyclase | ||||||
Function / homology | Function and homology information epi-isozizaene synthase / epi-isozizaene synthase activity / terpene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.403 Å | ||||||
Authors | Blank, P.N. / Barrow, G.H. / Christianson, D.W. | ||||||
Funding support | United States, 1items
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Citation | Journal: Biochemistry / Year: 2017 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ax9.cif.gz | 86.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ax9.ent.gz | 61 KB | Display | PDB format |
PDBx/mmJSON format | 6ax9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ax/6ax9 ftp://data.pdbj.org/pub/pdb/validation_reports/ax/6ax9 | HTTPS FTP |
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-Related structure data
Related structure data | 6axmC 6axnC 6axoC 6axuC 3kb9S S: Starting model for refinement C: citing same article (ref.) |
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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: 43682.941 Da / Num. of mol.: 1 / Mutation: F95N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Strain: ATCC BAA-471 / A3(2) / M145 / Gene: cyc1, SCO5222, SC7E4.19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9K499, epi-isozizaene synthase | ||||||
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#2: Chemical | #3: Chemical | ChemComp-POP / | #4: Chemical | ChemComp-BTM / | #5: 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: 2.14 Å3/Da / Density % sol: 42.6 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop Details: 0.2 M MgCl2.6H2O, 0.1 M 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) (pH 7.5), 25% (w/v) PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL14-1 / Wavelength: 1.1808 Å |
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jan 21, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1808 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→39.95 Å / Num. obs: 14666 / % possible obs: 99.9 % / Redundancy: 3.6 % / Net I/σ(I): 5.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3kb9 Resolution: 2.403→39.948 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.02
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.403→39.948 Å
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Refine LS restraints |
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LS refinement shell |
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