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- PDB-3f2l: Crystal structure analysis of the K171A mutation of N-terminal ty... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3f2l | ||||||
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Title | Crystal structure analysis of the K171A mutation of N-terminal type II cohesin 1 from the cellulosomal ScaB subunit of Acetivibrio cellulolyticus | ||||||
![]() | Cellulosomal scaffoldin adaptor protein B | ||||||
![]() | STRUCTURAL PROTEIN / Point mutation | ||||||
Function / homology | ![]() polysaccharide catabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds / carbohydrate binding / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Frolow, F. / Freeman, A. / Wine, Y. / Eppel, A. / Shanzer, M. / Stempler, S. | ||||||
![]() | ![]() Title: Crystal structure analysis of the K171A mutation of N-terminal type II cohesin 1 from the cellulosomal ScaB subunit of Acetivibrio cellulolyticus Authors: Frolow, F. / Freeman, A. / Wine, Y. / Eppel, A. / Shanzer, M. / Stempler, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 93.5 KB | Display | ![]() |
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PDB format | ![]() | 70.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 448.2 KB | Display | ![]() |
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Full document | ![]() | 448.1 KB | Display | |
Data in XML | ![]() | 11.8 KB | Display | |
Data in CIF | ![]() | 17.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1qznS S: Starting model for refinement |
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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: 18703.969 Da / Num. of mol.: 1 Fragment: N-terminal type II cohesin 1 from the cellulosomal ScaB subunit, UNP residues 28-199 Mutation: K171A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Chemical | ChemComp-EDO / #3: Chemical | ChemComp-NH4 / #4: Chemical | ChemComp-NO3 / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.52 Å3/Da / Density % sol: 51.21 % |
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Crystal grow | Temperature: 293 K / Method: microbatch / pH: 8.5 Details: 2.4M di-ammonium hydrogen phosphate, 0.1M Tris pH 8.5, Microbatch, temperature 293K |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: May 1, 2006 / Details: Osmic Confocal Mirrors |
Radiation | Monochromator: Osmic Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.85→50 Å / Num. all: 16830 / Num. obs: 16830 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 5.7 % / Biso Wilson estimate: 27.53 Å2 / Rmerge(I) obs: 0.097 / Rsym value: 0.097 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 1.85→1.85 Å / Redundancy: 5.7 % / Rmerge(I) obs: 0.49 / Mean I/σ(I) obs: 1.7 / Num. unique all: 16830 / Rsym value: 0.49 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1qzn Resolution: 1.85→29.21 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.919 / SU B: 5.631 / SU ML: 0.078 / Isotropic thermal model: Anisotropic / Cross valid method: THROUGHOUT / ESU R: 0.313 / ESU R Free: 0.128 / 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: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 28.048 Å2
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Refinement step | Cycle: LAST / Resolution: 1.85→29.21 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.85→1.898 Å / Total num. of bins used: 20
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