+Open data
-Basic information
Entry | Database: PDB / ID: 4le4 | |||||||||
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Title | Crystal structure of PaGluc131A with cellotriose | |||||||||
Components | Beta-glucanase | |||||||||
Keywords | HYDROLASE / glucanse / GH131 | |||||||||
Function / homology | Function and homology information cellulose binding / carbohydrate metabolic process / extracellular region Similarity search - Function | |||||||||
Biological species | Podospora anserina (fungus) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å | |||||||||
Authors | Jiang, T. / Chan, H.C. / Huang, C.H. / Ko, T.P. / Huang, T.Y. / Liu, J.R. / Guo, R.T. | |||||||||
Citation | Journal: To be Published Title: Crystal Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose Authors: Jiang, T. / Chan, H.C. / Huang, C.H. / Ko, T.P. / Huang, T.Y. / Liu, J.R. / Guo, R.T. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4le4.cif.gz | 225.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4le4.ent.gz | 179.4 KB | Display | PDB format |
PDBx/mmJSON format | 4le4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4le4_validation.pdf.gz | 733.8 KB | Display | wwPDB validaton report |
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Full document | 4le4_full_validation.pdf.gz | 748.4 KB | Display | |
Data in XML | 4le4_validation.xml.gz | 49.7 KB | Display | |
Data in CIF | 4le4_validation.cif.gz | 74.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/le/4le4 ftp://data.pdbj.org/pub/pdb/validation_reports/le/4le4 | HTTPS FTP |
-Related structure data
Related structure data | 4le3S S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 27718.361 Da / Num. of mol.: 4 / Fragment: UNP residues 19-270 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Podospora anserina (fungus) / Plasmid: pET32 Xa/LIC / Production host: Escherichia coli (E. coli) / Strain (production host): BL21trxB(DE3) / References: UniProt: J7K096 #2: Polysaccharide | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose / beta-cellotriose | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.59 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.1M HEPES, 0.7M LiCl, 33% PEG6K, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 0.9762 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: May 3, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9762 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→25 Å / Num. obs: 87110 / % possible obs: 97 % / Redundancy: 3.4 % |
Reflection shell | Resolution: 1.8→1.86 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.297 / Mean I/σ(I) obs: 3 / Num. unique all: 8638 / % possible all: 95.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4LE3 Resolution: 1.8→25 Å / σ(F): 3 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.8→25 Å
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LS refinement shell | Resolution: 1.8→1.86 Å /
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