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Yorodumi- PDB-5i10: Crystal structure of spinosyn rhamnosyl 4'-O-methyltransferase sp... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5i10 | ||||||
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Title | Crystal structure of spinosyn rhamnosyl 4'-O-methyltransferase spnh mutant T242Q from Saccharopolyspora Spinosa | ||||||
Components | Probable O-methyltransferase | ||||||
Keywords | TRANSFERASE | ||||||
Function / homology | Macrocin-O-methyltransferase (TylF) / Macrocin-O-methyltransferase / methyltransferase activity / methylation / S-adenosyl-L-methionine-dependent methyltransferase superfamily / metal ion binding / O-methyltransferase/macrocin O-methyltransferase/8-demethyl-8-(2, 3-dimethoxy-alpha-L-rhamnosyl)tetracenomycin-C 4'-O-methyltransferase Function and homology information | ||||||
Biological species | Saccharopolyspora spinosa (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Lin, Y.-C. / Huang, S.-P. / Huang, B.-L. / Chen, Y.-H. / Chen, Y.-J. / Chiu, H.-T. | ||||||
Funding support | Taiwan, 1items
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Citation | Journal: To Be Published Title: Crystal structure of spinosyn rhamnosyl 4'-O-methyltransferase spnh mutant T242Q from Saccharopolyspora Spinosa Authors: Lin, Y.-C. / Huang, S.-P. / Huang, B.-L. / Chen, Y.-H. / Chen, Y.-J. / Chiu, H.-T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5i10.cif.gz | 88.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5i10.ent.gz | 65.9 KB | Display | PDB format |
PDBx/mmJSON format | 5i10.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i1/5i10 ftp://data.pdbj.org/pub/pdb/validation_reports/i1/5i10 | HTTPS FTP |
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-Related structure data
Related structure data | 4cdzS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 28108.504 Da / Num. of mol.: 1 / Mutation: T242Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharopolyspora spinosa (bacteria) / Gene: spnH / Plasmid: PET-21B / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: Q9ALM9 |
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#2: Chemical | ChemComp-MG / |
#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: 2.36 Å3/Da / Density % sol: 47.9 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 18-24% (w/v) polyethylene glycol 3350, 100mM Tris, pH 7-9, 200mM magnesium chloride and 2.3mM SRPG PH range: 7-9 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Nov 28, 2015 / Details: RH COATED MIRROWS |
Radiation | Monochromator: LN2-COOLED, FIXED-EXIT DOUBLE CRYSTAL MONOCHROMATOR Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2→27.6 Å / Num. obs: 26486 / % possible obs: 99.45 % / Observed criterion σ(I): 1 / Redundancy: 38.4 % / Biso Wilson estimate: 34.2 Å2 / Rmerge(I) obs: 0.054 / Net I/σ(I): 39.04 |
Reflection shell | Resolution: 2.06→2.15 Å / Redundancy: 35.6 % / Rmerge(I) obs: 0.88 / Mean I/σ(I) obs: 3.23 / % possible all: 94.52 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4CDZ Resolution: 2→27.6 Å / SU ML: 0.28 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 30.31
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 46.1 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→27.6 Å
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Refine LS restraints |
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LS refinement shell |
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