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- PDB-8bf3: Crystal structure of feruloyl esterase wtsFae1B in complex with x... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8bf3 | ||||||
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Title | Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose | ||||||
![]() | Ferulic acid esterase | ||||||
![]() | SUGAR BINDING PROTEIN / Feruloyl esterase / complex / (alpha/beta/alpha)-sandwich | ||||||
Function / homology | ![]() feruloyl esterase / feruloyl esterase activity / hydrolase activity, hydrolyzing O-glycosyl compounds / carbohydrate metabolic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wilkens, C. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose Authors: Wilkens, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 552.2 KB | Display | ![]() |
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PDB format | ![]() | 380.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 36.9 KB | Display | |
Data in CIF | ![]() | 59 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8bbpS 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
#1: Protein | Mass: 43013.621 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() #2: Polysaccharide | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Source method: isolated from a genetically manipulated source #3: Chemical | ChemComp-EDO / #4: Sugar | ChemComp-XYP / | #5: 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: 2.52 Å3/Da / Density % sol: 51.14 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 20% PEG6000; 0.1M HEPES pH 7; 0.2M LiCl |
-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: Jun 26, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.976 Å / Relative weight: 1 |
Reflection | Resolution: 1.19→40.47 Å / Num. obs: 272728 / % possible obs: 98.48 % / Redundancy: 12 % / Biso Wilson estimate: 14.07 Å2 / CC1/2: 1 / Net I/σ(I): 17.57 |
Reflection shell | Resolution: 1.19→1.23 Å / Num. unique obs: 177374 / CC1/2: 0.52 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 8BBP Resolution: 1.19→40.47 Å / SU ML: 0.1154 / Cross valid method: FREE R-VALUE / σ(F): 0.97 / Phase error: 13.8599 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: 21.32 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.19→40.47 Å
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Refine LS restraints |
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LS refinement shell |
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