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- PDB-3duw: Crystal Structural Analysis of the O-methyltransferase from Bacil... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3duw | ||||||
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Title | Crystal Structural Analysis of the O-methyltransferase from Bacillus cereus in complex SAH | ||||||
![]() | O-methyltransferase, putative | ||||||
![]() | TRANSFERASE / alternating of alpha and beta with complex SAH / Methyltransferase | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cho, J.-H. / Rhee, S. | ||||||
![]() | ![]() Title: Structural and functional insights into O-methyltransferase from Bacillus cereus Authors: Cho, J.-H. / Park, Y. / Ahn, J.-H. / Lim, Y. / Rhee, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 100.1 KB | Display | ![]() |
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PDB format | ![]() | 82.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 930.5 KB | Display | ![]() |
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Full document | ![]() | 943 KB | Display | |
Data in XML | ![]() | 23.6 KB | Display | |
Data in CIF | ![]() | 34 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 24771.361 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q739U3, Transferases; Transferring one-carbon groups; Methyltransferases #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.63 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 5.2 Details: 0.1M citric acid, 0.25M LiCl, 20% PEG 6000, 2mM MgCl2, 1mM SAH, 3% dioxane as an additive, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation | Monochromator: Mirror / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength |
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Reflection | Resolution: 1.2→50 Å / Num. obs: 131717 / % possible obs: 95.7 % / Observed criterion σ(F): 2 / Redundancy: 14.2 % / Rmerge(I) obs: 0.135 / Net I/σ(I): 25.7 | |||||||||||||||
Reflection shell | Resolution: 1.2→1.24 Å / Redundancy: 12.9 % / Rmerge(I) obs: 0.2 / Mean I/σ(I) obs: 12.1 / Num. unique all: 3975 / % possible all: 66.6 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Bsol: 52.148 Å2 | ||||||||||||||||||||
Displacement parameters | Biso max: 43.86 Å2 / Biso mean: 13.252 Å2 / Biso min: 5.56 Å2
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Refinement step | Cycle: LAST / Resolution: 1.2→32.44 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.2→1.24 Å | ||||||||||||||||||||
Xplor file |
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