+Open data
-Basic information
Entry | Database: PDB / ID: 1gu3 | |||||||||
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Title | CBM4 structure and function | |||||||||
Components | ENDOGLUCANASE C | |||||||||
Keywords | CARBOHYDRATE-BINDING MODULE / CARBOHYDRATE BINDING MODULE / CBM / GLUCAN / CELLULOSE | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | CELLULOMONAS FIMI (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | |||||||||
Authors | Nurizzo, D. / Notenboom, V. / Davies, G.J. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2002 Title: Differential Oligosaccharide Recognition by Evolutionarily-Related Beta-1,4 and Beta-1,3 Glucan-Binding Modules Authors: Boraston, A.B. / Nurizzo, D. / Notenboom, V. / Ducros, V. / Rose, D.R. / Kilburn, D.G. / Davies, G.J. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1gu3.cif.gz | 42.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1gu3.ent.gz | 29.5 KB | Display | PDB format |
PDBx/mmJSON format | 1gu3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/gu/1gu3 ftp://data.pdbj.org/pub/pdb/validation_reports/gu/1gu3 | HTTPS FTP |
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-Related structure data
Related structure data | 1guiC 1uloS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 15088.256 Da / Num. of mol.: 1 Fragment: CARBOHYDRATE BINDING MODULE FAMILY 4, RESIDUES 1-149 Source method: isolated from a genetically manipulated source Source: (gene. exp.) CELLULOMONAS FIMI (bacteria) Description: CARBOHYDRATE BINDING MODULE OF CELLULASE 9B FROM CELLULOMONAS FIMI Plasmid: PTUG / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): JM101 / References: UniProt: P14090, cellulase |
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#2: Polysaccharide | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D- ...beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose / beta-cellopentaose |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 59 % | |||||||||||||||
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Crystal grow | pH: 5 / Details: 1.8M AMMONIUM SULFATE, 3% ISOPROPANOL, pH 5.00 | |||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Details: OSMICS MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→20 Å / Num. obs: 8313 / % possible obs: 93.6 % / Redundancy: 4.3 % / Rmerge(I) obs: 0.082 / Net I/σ(I): 18 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.26 / Mean I/σ(I) obs: 3.6 / % possible all: 61 |
Reflection | *PLUS Lowest resolution: 20 Å |
Reflection shell | *PLUS Highest resolution: 2.3 Å / % possible obs: 61 % / Rmerge(I) obs: 0.26 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1ULO Resolution: 2.3→20 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.885 / SU B: 7.612 / SU ML: 0.181 / Cross valid method: THROUGHOUT / ESU R: 0.377 / ESU R Free: 0.264 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: 25.32 Å2
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Refinement step | Cycle: LAST / Resolution: 2.3→20 Å
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Refine LS restraints |
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