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Open data
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Basic information
Entry | Database: PDB / ID: 3e3s | ||||||
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Title | Structure of thaumatin with the magic triangle I3C | ||||||
![]() | Thaumatin I | ||||||
![]() | PLANT PROTEIN / Phasing tool / 5-amino-2 / 4 / 6-triiodoisophthalic acid / magic triangle / I3C | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Beck, T. / Gruene, T. / Sheldrick, G.M. | ||||||
![]() | ![]() Title: A magic triangle for experimental phasing of macromolecules Authors: Beck, T. / Krasauskas, A. / Gruene, T. / Sheldrick, G.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 57.7 KB | Display | ![]() |
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PDB format | ![]() | 44.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.1 MB | Display | ![]() |
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Full document | ![]() | 2.1 MB | Display | |
Data in XML | ![]() | 13.4 KB | Display | |
Data in CIF | ![]() | 19.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 22228.043 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() | ||||||||
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#2: Chemical | ChemComp-I3C / #3: Chemical | ChemComp-TLA / | #4: Chemical | ChemComp-K / #5: Water | ChemComp-HOH / | Nonpolymer details | THE REFERENCE OF I3C IS ACTA CRYSTALLOGRAPHICA SECTION E(2008) E64, O1286 TITLE: 5-AMINO-2,4,6- ...THE REFERENCE OF I3C IS ACTA CRYSTALLOG | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.799295 Å3/Da / Density % sol: 56.06 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.8 Details: 0.05M ADA, 0.8M potassium sodium tartrate, pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jun 3, 2008 / Details: MULTI-LAYER OSMIC OPTICS |
Radiation | Monochromator: MULTI-LAYER OSMIC OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 1.73→19.7 Å / Num. all: 27271 / Num. obs: 27271 / % possible obs: 99.6 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 26.8 % / Rmerge(I) obs: 0.056 / Net I/σ(I): 47.5 |
Reflection shell | Resolution: 1.73→1.83 Å / Redundancy: 24.2 % / Rmerge(I) obs: 0.12 / Mean I/σ(I) obs: 25.5 / % possible all: 97.9 |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso max: 76.86 Å2 / Biso mean: 15.118 Å2 / Biso min: 0 Å2 | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 4 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.73→19.7 Å
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Refine LS restraints |
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