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Open data
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Basic information
Entry | Database: PDB / ID: 6os8 | ||||||
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Title | Coiled-coil Trimer with Glu:p-fluorophenylalanine:Lys Triad | ||||||
![]() | Coiled-coil trimer with Glu:p-fluorophenylalanine:Lys Triad | ||||||
![]() | DE NOVO PROTEIN / Trimer / Helix | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() | ||||||
![]() | Smith, M.S. / Stern, K.L. / Billings, W.M. / Price, J.L. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Context-Dependent Stabilizing Interactions among Solvent-Exposed Residues along the Surface of a Trimeric Helix Bundle. Authors: Stern, K.L. / Smith, M.S. / Billings, W.M. / Loftus, T.J. / Conover, B.M. / Della Corte, D. / Price, J.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 24.7 KB | Display | ![]() |
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PDB format | ![]() | 15.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 388.5 KB | Display | ![]() |
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Full document | ![]() | 389.7 KB | Display | |
Data in XML | ![]() | 2.9 KB | Display | |
Data in CIF | ![]() | 3.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6osdC ![]() 6ov9C ![]() 6ovsC ![]() 6ovuC ![]() 6ovvC ![]() 6q1wC ![]() 6q22C ![]() 6q25C ![]() 6u47C ![]() 6v4yC ![]() 6v50C ![]() 6v57C ![]() 6v58C ![]() 6v5gC ![]() 6v5iC ![]() 6v5jC ![]() 5uxtS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein/peptide | Mass: 3704.220 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.95 Å3/Da / Density % sol: 37.08 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 40% PEG300, 100 mM sodium cacodylate/HCl, pH 6.5, 200 mM calcium acetate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: APEX II CCD / Detector: CCD / Date: Oct 4, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5406 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→19.93 Å / Num. obs: 3077 / % possible obs: 99.7 % / Redundancy: 4.1 % / CC1/2: 0.972 / Rmerge(I) obs: 0.163 / Rpim(I) all: 0.083 / Rrim(I) all: 0.184 / Net I/σ(I): 7.4 |
Reflection shell | Resolution: 2.15→2.227 Å / Rmerge(I) obs: 0.353 / Num. unique obs: 321 / CC1/2: 0.845 / Rpim(I) all: 0.282 / Rrim(I) all: 0.454 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 5UXT Resolution: 2.15→19.926 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.98 / Phase error: 30.91
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 58.65 Å2 / Biso mean: 26.7169 Å2 / Biso min: 13.81 Å2 | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.15→19.926 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 4
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