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Open data
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Basic information
Entry | Database: PDB / ID: 7nc2 | ||||||
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Title | Glutathione-S-transferase GliG (space group P3221) | ||||||
![]() | Glutathione S-transferase GliG | ||||||
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Function / homology | ![]() | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Groll, M. / Huber, E.M. | ||||||
![]() | ![]() Title: Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Authors: Scherlach, K. / Kuttenlochner, W. / Scharf, D.H. / Brakhage, A.A. / Hertweck, C. / Groll, M. / Huber, E.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 | ![]() | 219.1 KB | Display | ![]() |
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PDB format | ![]() | 176.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7nc1SC ![]() 7nc3C ![]() 7nc5C ![]() 7nc6C ![]() 7nc8C ![]() 7nc9C ![]() 7ncbC ![]() 7ncdC ![]() 7nceC ![]() 7nclC ![]() 7ncmC ![]() 7ncnC ![]() 7ncoC ![]() 7ncpC ![]() 7nctC ![]() 7ncuC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 28963.014 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Strain: CEA10 / CBS 144.89 / FGSC A1163 / Gene: AFUB_075740 / Production host: ![]() ![]() ![]() #2: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.49 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M Calcium acetate, 0.1 M Sodium cacodylate pH 6.5, 18 % PEG8000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 9, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.7→48 Å / Num. obs: 57243 / % possible obs: 99.9 % / Redundancy: 7.2 % / Rmerge(I) obs: 0.044 / Net I/σ(I): 23.6 |
Reflection shell | Resolution: 1.7→1.8 Å / Rmerge(I) obs: 0.511 / Mean I/σ(I) obs: 3.8 / Num. unique obs: 8920 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 7NC1 Resolution: 1.7→30 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.965 / SU B: 4.107 / SU ML: 0.061 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.143 / ESU R Free: 0.09 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 70.99 Å2 / Biso mean: 27.449 Å2 / Biso min: 15.39 Å2
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Refinement step | Cycle: final / Resolution: 1.7→30 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.7→1.744 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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