+Open data
-Basic information
Entry | Database: PDB / ID: 3lgk | ||||||
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Title | D99N Epi-isozizaene synthase | ||||||
Components | Epi-isozizaene synthase | ||||||
Keywords | LYASE / terpenoid cyclase / alpha-helical fold / farnesyl diphosphate / metal-binding / Magnesium | ||||||
Function / homology | Function and homology information epi-isozizaene synthase / epi-isozizaene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.892 Å | ||||||
Authors | Aaron, J.A. / Lin, X. / Cane, D.E. / Christianson, D.W. | ||||||
Citation | Journal: Biochemistry / Year: 2010 Title: Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates Authors: Aaron, J.A. / Lin, X. / 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 | 3lgk.cif.gz | 87.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3lgk.ent.gz | 63.6 KB | Display | PDB format |
PDBx/mmJSON format | 3lgk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lg/3lgk ftp://data.pdbj.org/pub/pdb/validation_reports/lg/3lgk | HTTPS FTP |
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-Related structure data
Related structure data | 3kb9SC 3kbkC 3lg5C 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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Details | monomer |
-Components
#1: Protein | Mass: 43715.027 Da / Num. of mol.: 1 / Mutation: D99N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Gene: cyc1, SCO5222, SC7E4.19 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21DE3 / References: UniProt: Q9K499, epi-isozizaene synthase |
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#2: Chemical | ChemComp-SO4 / |
#3: 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: 2.06 Å3/Da / Density % sol: 40.21 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 25% PEG 3350, 100 mM Bis-Tris pH 6.0, 0.2 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9795 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Dec 9, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. all: 29416 / Num. obs: 28694 / % possible obs: 97.5 % / Redundancy: 3.3 % / Biso Wilson estimate: 19.8 Å2 / Rsym value: 0.089 / Net I/σ(I): 11.1 |
Reflection shell | Resolution: 1.9→1.97 Å / Redundancy: 3 % / Rmerge(I) obs: 0.2768 / Mean I/σ(I) obs: 2.33 / Rsym value: 0.634 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB 3KB9 Resolution: 1.892→29.034 Å / SU ML: 0.23 / Cross valid method: THROUGHOUT / σ(F): 0.06 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 50.789 Å2 / ksol: 0.34 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.892→29.034 Å
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Refine LS restraints |
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LS refinement shell |
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