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Yorodumi- PDB-6jwb: Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xy... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6jwb | |||||||||
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Title | Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose | |||||||||
Components | Endo-1,4-beta-xylanase 2 | |||||||||
Keywords | HYDROLASE / complex | |||||||||
Function / homology | Function and homology information endo-1,4-beta-xylanase activity / endo-1,4-beta-xylanase / xylan catabolic process / extracellular region Similarity search - Function | |||||||||
Biological species | Trichoderma reesei RUT C-30 (fungus) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.15 Å | |||||||||
Authors | Li, C. / Wan, Q. | |||||||||
Funding support | China, 1items
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Citation | Journal: Protein J. / Year: 2020 Title: Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Authors: Li, Z. / Zhang, X. / Li, C. / Kovalevsky, A. / Wan, Q. #1: Journal: PROC.NATL.ACAD.SCI.USA / Year: 2015 Title: Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Authors: Wan, Q. #2: Journal: Acta Crystallographica Section D-Biological Crystallography Year: 2014 Title: X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism Authors: Jerry, M.P. / Wan, Q. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6jwb.cif.gz | 132.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6jwb.ent.gz | 103 KB | Display | PDB format |
PDBx/mmJSON format | 6jwb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6jwb_validation.pdf.gz | 759.8 KB | Display | wwPDB validaton report |
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Full document | 6jwb_full_validation.pdf.gz | 761.3 KB | Display | |
Data in XML | 6jwb_validation.xml.gz | 13.3 KB | Display | |
Data in CIF | 6jwb_validation.cif.gz | 20.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jw/6jwb ftp://data.pdbj.org/pub/pdb/validation_reports/jw/6jwb | HTTPS FTP |
-Related structure data
Related structure data | 6jugC 6k9oC 6k9rC 6k9wC 6kw9C 6kwcC 6kwdC 6kwfC 6kwgC 2dfcS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | |
Experimental dataset #1 | Data reference: 10.1107/S1399004713023626 / Data set type: diffraction image data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 20727.338 Da / Num. of mol.: 1 / Fragment: UNP residues 35-223 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trichoderma reesei RUT C-30 (fungus) / Strain: Rut C-30 / Gene: xyn2 / Production host: Escherichia coli (E. coli) / References: UniProt: P36217, endo-1,4-beta-xylanase | ||
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#2: Polysaccharide | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose / 4beta-beta-xylotriose | ||
#3: Chemical | ChemComp-MES / | ||
#4: Chemical | ChemComp-IOD / #5: 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: 2.43 Å3/Da / Density % sol: 49.45 % |
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Crystal grow | Temperature: 291 K / Method: evaporation / pH: 6 / Details: 20%PEG 8000, 0.2M NaI,0.1M MES |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL19U1 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Nov 7, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.15→19.917 Å / Num. obs: 72399 / % possible obs: 99.86 % / Redundancy: 6 % / Biso Wilson estimate: 11.51 Å2 / Net I/σ(I): 18.41 |
Reflection shell | Resolution: 1.15→1.191 Å / Num. unique obs: 7143 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2DFC Resolution: 1.15→19.917 Å / SU ML: 0.1 / Cross valid method: THROUGHOUT / σ(F): 1.38 / Phase error: 14.69
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 95.62 Å2 / Biso mean: 17.3456 Å2 / Biso min: 7.81 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.15→19.917 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 26
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