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Open data
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Basic information
Entry | Database: PDB / ID: 3u2m | ||||||
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Title | Crystal structure of human ALR mutant C142/145S | ||||||
![]() | FAD-linked sulfhydryl oxidase ALR | ||||||
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Function / homology | ![]() flavin-dependent sulfhydryl oxidase activity / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Banci, L. / Bertini, I. / Calderone, V. / Cefaro, C. / Ciofi-Baffoni, S. / Gallo, A. | ||||||
![]() | ![]() Title: An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR. Authors: Banci, L. / Bertini, I. / Calderone, V. / Cefaro, C. / Ciofi-Baffoni, S. / Gallo, A. / Tokatlidis, K. #1: ![]() Title: Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR. Authors: Banci, L. / Bertini, I. / Calderone, V. / Cefaro, C. / Ciofi-Baffoni, S. / Gallo, A. / Kallergi, E. / Lionaki, E. / Pozidis, C. / Tokatlidis, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 41.5 KB | Display | ![]() |
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PDB format | ![]() | 27.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3u2lC ![]() 3o55S S: Starting model for refinement C: citing same article ( |
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Similar 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: 13682.167 Da / Num. of mol.: 1 / Fragment: unp residues 91-205 / Mutation: C142S, C145S, C154S, C165S, Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FAD / ![]() |
#3: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.21 Å3/Da / Density % sol: 44.37 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6 Details: 0.1 M MES, 20% PEG6000 , pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SEALED TUBE / Type: OXFORD DIFFRACTION ENHANCE ULTRA / Wavelength: 1.541 Å |
Detector | Type: OXFORD ONYX CCD / Detector: CCD / Date: Nov 6, 2010 / Details: mirrors |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→40 Å / Num. all: 8795 / Num. obs: 8795 / % possible obs: 93.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 24.1 Å2 / Rmerge(I) obs: 0.09 / Rsym value: 0.09 / Net I/σ(I): 7.1 |
Reflection shell | Resolution: 2→2.1 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.5 / Mean I/σ(I) obs: 1.8 / Num. unique all: 1365 / Rsym value: 0.5 / % possible all: 93.1 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 3O55 Resolution: 2→34.94 Å / Cor.coef. Fo:Fc: 0.914 / Cor.coef. Fo:Fc free: 0.866 / SU B: 5.79 / SU ML: 0.165 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(I): 0 / ESU R Free: 0.219 / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.455 Å2
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Refinement step | Cycle: LAST / Resolution: 2→34.94 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.95→2.001 Å / Total num. of bins used: 20
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