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- PDB-3mwz: Crystal structure of the selenomethionine derivative of the L 22,... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3mwz | ||||||
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Title | Crystal structure of the selenomethionine derivative of the L 22,47,100 M mutant of sialostatin L2 | ||||||
![]() | sialostatin L2 | ||||||
![]() | HYDROLASE INHIBITOR / antiparallel beta-sheet | ||||||
Function / homology | ![]() negative regulation of cysteine-type endopeptidase activity / cysteine-type endopeptidase inhibitor activity / vesicle / extracellular space / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Andersen, J.F. | ||||||
![]() | ![]() Title: The crystal structures of two salivary cystatins from the tick Ixodes scapularis and the effect of these inhibitors on the establishment of Borrelia burgdorferi infection in a murine model. Authors: Kotsyfakis, M. / Horka, H. / Salat, J. / Andersen, J.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 59.8 KB | Display | ![]() |
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PDB format | ![]() | 48.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 433.2 KB | Display | ![]() |
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Full document | ![]() | 433.6 KB | Display | |
Data in XML | ![]() | 8.2 KB | Display | |
Data in CIF | ![]() | 10.9 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: 13043.797 Da / Num. of mol.: 1 / Fragment: residues 19-132 / Mutation: L40M, L65M, L118M Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-SO4 / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.76 Å3/Da / Density % sol: 55.47 % |
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 9 Details: 1.8 M ammonium sulfate, 0.1 M bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Mar 3, 2008 Details: Rosenbaum-Rock double crystal monochromator Si(111) |
Radiation | Monochromator: Rosenbaum-Rock double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9712 Å / Relative weight: 1 |
Reflection | Resolution: 1.52→67.42 Å / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 15 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.5 |
Reflection shell | Resolution: 1.52→1.57 Å / Redundancy: 13.5 % / Rmerge(I) obs: 0.375 / Mean I/σ(I) obs: 6.9 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.987 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.52→67.42 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.52→1.561 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Origin x: 31.9499 Å / Origin y: 24.3754 Å / Origin z: -1.7461 Å
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