+Open data
-Basic information
Entry | Database: PDB / ID: 6q1w | ||||||
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Title | Coiled-coil Trimer with Glu:Val:Lys Triad | ||||||
Components | Coiled-coil Trimer with Glu:Val:Lys Triad | ||||||
Keywords | DE NOVO PROTEIN / Trimer / Helix | ||||||
Biological species | synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.498 Å | ||||||
Authors | Smith, M.S. / Stern, K.L. / Billings, W.M. / Price, J.L. | ||||||
Funding support | United States, 1items
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Citation | Journal: Biochemistry / Year: 2020 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6q1w.cif.gz | 25.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6q1w.ent.gz | 18.4 KB | Display | PDB format |
PDBx/mmJSON format | 6q1w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q1/6q1w ftp://data.pdbj.org/pub/pdb/validation_reports/q1/6q1w | HTTPS FTP |
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-Related structure data
Related structure data | 6os8C 6osdC 6ov9C 6ovsC 6ovuC 6ovvC 6q22C 6q25C 6u47C 6v4yC 6v50C 6v57C 6v58C 6v5gC 6v5iC 6v5jC C: citing same article (ref.) |
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Similar 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 on special symmetry positions |
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-Components
#1: Protein/peptide | Mass: 3852.431 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #2: Water | ChemComp-HOH / | Has ligand of interest | N | |
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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: 1.9 Å3/Da / Density % sol: 35.2 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 40% PEG600, 100 mM sodium citrate tribasic/citric acid, pH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR591 / Wavelength: 1.5406 Å |
Detector | Type: APEX II CCD / Detector: CCD / Date: Nov 27, 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: 1.498→17.42 Å / Num. obs: 9110 / % possible obs: 99.64 % / Redundancy: 6.1 % / CC1/2: 0.924 / Rmerge(I) obs: 0.158 / Rpim(I) all: 0.052 / Rrim(I) all: 0.166 / Net I/σ(I): 18.3 |
Reflection shell | Resolution: 1.498→1.552 Å / Rmerge(I) obs: 0.251 / Num. unique obs: 886 / CC1/2: 0.909 / Rpim(I) all: 0.178 / Rrim(I) all: 0.31 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.498→17.42 Å / SU ML: 0.11 / Cross valid method: THROUGHOUT / σ(F): 1.99 / Phase error: 20.31
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 47.39 Å2 / Biso mean: 14.6356 Å2 / Biso min: 4.49 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.498→17.42 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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