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Open data
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Basic information
Entry | Database: PDB / ID: 8bii | ||||||
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Title | O-Methyltransferase Plu4895 (mutant H229N) in complex with SAH | ||||||
![]() | methyltransferase Plu4895 H229N mutant | ||||||
![]() | TRANSFERASE / methyltransferase / polyketide / anthraquinone | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Huber, E.M. / Groll, M. | ||||||
Funding support | 1items
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![]() | ![]() Title: A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments. Authors: Huber, E.M. / Kreling, L. / Heinrich, A.K. / Dunnebacke, M. / Pothig, A. / Bode, H.B. / Groll, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1006.2 KB | Display | ![]() |
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PDB format | ![]() | 846.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 652 KB | Display | ![]() |
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Full document | ![]() | 655.1 KB | Display | |
Data in XML | ![]() | 1.7 KB | Display | |
Data in CIF | ![]() | 23.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8bgtC ![]() 8bgxC ![]() 8bgyC ![]() 8bgzC ![]() 8bh0C ![]() 8bibC ![]() 8bicC ![]() 8bidC ![]() 8bieC ![]() 8bifC ![]() 8bigSC ![]() 8bihC ![]() 8bijC ![]() 8birC S: Starting model for refinement C: citing same article ( |
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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
#1: Protein | Mass: 38411.805 Da / Num. of mol.: 8 / Mutation: H229N Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() #2: Chemical | ChemComp-SAH / #3: Chemical | ChemComp-CL / | #4: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.86 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 0.2 M Sodium citrate, 0.1 M bis-tris propane pH 7.5, 20% PEG3350 |
-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: Oct 26, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→49 Å / Num. obs: 76974 / % possible obs: 99.4 % / Redundancy: 4.4 % / Rmerge(I) obs: 0.079 / Net I/σ(I): 12.1 |
Reflection shell | Resolution: 2.8→2.9 Å / Rmerge(I) obs: 0.592 / Mean I/σ(I) obs: 2.3 / Num. unique obs: 7541 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 8BIG Resolution: 2.8→30 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.905 / SU B: 46.471 / SU ML: 0.394 / Cross valid method: THROUGHOUT / ESU R Free: 0.428 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 73.643 Å2
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Refinement step | Cycle: 1 / Resolution: 2.8→30 Å
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Refine LS restraints |
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