+Open data
-Basic information
Entry | Database: PDB / ID: 1t6e | ||||||
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Title | Crystal Structure of the Triticum aestivum xylanase inhibitor I | ||||||
Components | xylanase inhibitor | ||||||
Keywords | HYDROLASE INHIBITOR / two beta-barrel domain structure | ||||||
Function / homology | Function and homology information hydrolase activity, acting on glycosyl bonds / xylan catabolic process / aspartic-type endopeptidase activity / proteolysis Similarity search - Function | ||||||
Biological species | Triticum aestivum (bread wheat) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 1.7 Å | ||||||
Authors | Sansen, S. / De Ranter, C.J. / Gebruers, K. / Brijs, K. / Courtin, C.M. / Delcour, J.A. / Rabijns, A. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I Authors: Sansen, S. / De Ranter, C.J. / Gebruers, K. / Brijs, K. / Courtin, C.M. / Delcour, J.A. / Rabijns, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1t6e.cif.gz | 82.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1t6e.ent.gz | 64.7 KB | Display | PDB format |
PDBx/mmJSON format | 1t6e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/t6/1t6e ftp://data.pdbj.org/pub/pdb/validation_reports/t6/1t6e | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The asymmetric unit corresponds to the biological assembly |
-Components
#1: Protein | Mass: 38862.523 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Triticum aestivum (bread wheat) / References: UniProt: Q8H0K8, endo-1,4-beta-xylanase |
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#2: Chemical | ChemComp-GOL / |
#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: 2.44 Å3/Da / Density % sol: 49.27 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 0.15 M ammonium sulphate, 0.1 M sodium acetate buffer, 23 % PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, Hamburg / Beamline: X11 / Wavelength: 0.811 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: May 24, 2002 / Details: bent mirror |
Radiation | Monochromator: triangular monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.811 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→30 Å / Num. all: 40019 / Num. obs: 35394 / Observed criterion σ(F): 1.41 / Observed criterion σ(I): 2 |
Reflection shell | Resolution: 1.7→1.73 Å / % possible all: 99.5 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 1.7→30 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.945 / SU B: 2 / SU ML: 0.067 / Cross valid method: THROUGHOUT / ESU R: 0.111 / ESU R Free: 0.107 / 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: 21.662 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.7→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.697→1.741 Å / Total num. of bins used: 20 /
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