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Open data
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Basic information
Entry | Database: PDB / ID: 7ww0 | ||||||
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Title | The crystal structure of FinI complex with SAH | ||||||
![]() | Methyltransf_2 domain-containing protein | ||||||
![]() | BIOSYNTHETIC PROTEIN / Complex / Diels-Alderase | ||||||
Function / homology | ![]() : / : / O-methyltransferase activity / secondary metabolite biosynthetic process / methylation Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhou, J. / Lu, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The crystal structure of FinI complex with SAH Authors: Zhou, J. / Lu, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 222.8 KB | Display | ![]() |
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PDB format | ![]() | 141.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 620.6 KB | Display | ![]() |
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Full document | ![]() | 629.5 KB | Display | |
Data in XML | ![]() | 36 KB | Display | |
Data in CIF | ![]() | 53.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7wvsS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 45429.055 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ITEM 5010 / Gene: ASPCADRAFT_492 / Production host: ![]() ![]() |
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-Non-polymers , 7 types, 580 molecules ![](data/chem/img/SAH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | ChemComp-SO4 / #4: Chemical | ChemComp-EDO / #5: Chemical | #6: Chemical | ChemComp-MES / | #7: Chemical | ChemComp-PEG / | #8: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.88 Å3/Da / Density % sol: 57.31 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop Details: 0.2 M Ammonium sulfate, 0.1 M MES pH 6.5, 20%(w/v)PEG8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 18, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→73.83 Å / Num. obs: 86691 / % possible obs: 100 % / Redundancy: 13 % / Biso Wilson estimate: 32.2 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.065 / Rpim(I) all: 0.027 / Net I/σ(I): 22 |
Reflection shell | Resolution: 1.85→1.88 Å / Redundancy: 11.5 % / Rmerge(I) obs: 1.117 / Mean I/σ(I) obs: 2.2 / Num. unique obs: 4535 / CC1/2: 0.731 / Rpim(I) all: 0.498 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7WVS Resolution: 1.85→63.4 Å / SU ML: 0.1976 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 21.5151 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39.97 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.85→63.4 Å
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Refine LS restraints |
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LS refinement shell |
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