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Yorodumi- PDB-2xa9: Crystal structure of trehalose synthase TreT mutant E326A from P.... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2xa9 | ||||||
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Title | Crystal structure of trehalose synthase TreT mutant E326A from P. horikoshii in complex with UDPG | ||||||
Components | TREHALOSE-SYNTHASE TRET | ||||||
Keywords | BIOSYNTHETIC PROTEIN | ||||||
Function / homology | Function and homology information alpha,alpha-trehalose synthase / trehalose synthase activity / glucose metabolic process Similarity search - Function | ||||||
Biological species | PYROCOCCUS HORIKOSHII (archaea) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Song, H.-N. / Jung, T.-Y. / Yoon, S.-M. / Lee, S.-B. / Lim, M.-Y. / Woo, E.-J. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2010 Title: Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii. Authors: Woo, E.-J. / Ryu, S. / Song, H.-N. / Jung, T.-Y. / Yeon, S. / Lee, H. / Park, B.C. / Park, K. / Lee, S.-B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2xa9.cif.gz | 180.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2xa9.ent.gz | 145.5 KB | Display | PDB format |
PDBx/mmJSON format | 2xa9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xa/2xa9 ftp://data.pdbj.org/pub/pdb/validation_reports/xa/2xa9 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 48179.516 Da / Num. of mol.: 2 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) PYROCOCCUS HORIKOSHII (archaea) / Description: HYPERTHERMOPHILIC ARCHAEON / Plasmid: P6XHIS119 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): MC1061(DE3) / References: UniProt: O58762 #2: Chemical | #3: Water | ChemComp-HOH / | Compound details | ENGINEERED | |
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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: 2.29 Å3/Da / Density % sol: 46.42 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: PEG3350 25%, 0.2M MGCL2, 0.1M SODIUM HEPES BUFFER, 5MM UDPG, pH 8.5 |
-Data collection
Diffraction | Mean temperature: 297 K |
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Diffraction source | Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 4A / Wavelength: 1.2399 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Dec 1, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.2399 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. obs: 30955 / % possible obs: 97.2 % / Observed criterion σ(I): 0 / Redundancy: 4.6 % / Biso Wilson estimate: 19.8 Å2 / Rmerge(I) obs: 0.13 / Net I/σ(I): 6.1 |
Reflection shell | Resolution: 2.5→30 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.29 / Mean I/σ(I) obs: 2.2 / % possible all: 89.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→29.81 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 26725.52 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 34.5545 Å2 / ksol: 0.35 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 40.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.5→29.81 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: NONE | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.5→2.66 Å / Rfactor Rfree error: 0.021 / Total num. of bins used: 6
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Xplor file |
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