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Yorodumi- PDB-6g6a: Crystal structure of a parallel six-helix coiled coil CC-Type2-LL -
+Open data
-Basic information
Entry | Database: PDB / ID: 6g6a | |||||||||
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Title | Crystal structure of a parallel six-helix coiled coil CC-Type2-LL | |||||||||
Components | CC-Type2-LL | |||||||||
Keywords | DE NOVO PROTEIN / de novo / coiled coil / alpha-helical bundle / synthetic construct | |||||||||
Biological species | synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.701 Å | |||||||||
Authors | Rhys, G.G. / Brady, R.L. / Woolfson, D.N. | |||||||||
Funding support | United Kingdom, 2items
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Citation | Journal: Nat Commun / Year: 2018 Title: Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Authors: Rhys, G.G. / Wood, C.W. / Lang, E.J.M. / Mulholland, A.J. / Brady, R.L. / Thomson, A.R. / Woolfson, D.N. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6g6a.cif.gz | 27.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6g6a.ent.gz | 19 KB | Display | PDB format |
PDBx/mmJSON format | 6g6a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6g6a_validation.pdf.gz | 432.6 KB | Display | wwPDB validaton report |
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Full document | 6g6a_full_validation.pdf.gz | 432.8 KB | Display | |
Data in XML | 6g6a_validation.xml.gz | 5.1 KB | Display | |
Data in CIF | 6g6a_validation.cif.gz | 6.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/g6/6g6a ftp://data.pdbj.org/pub/pdb/validation_reports/g6/6g6a | HTTPS FTP |
-Related structure data
Related structure data | 6g65C 6g66C 6g67C 6g68C 6g69C 6g6bC 6g6cC 6g6dC 6g6eC 6g6fC 6g6gC 6g6hC 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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Unit cell |
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-Components
#1: Protein/peptide | Mass: 3234.871 Da / Num. of mol.: 3 / Source method: obtained synthetically Details: solid-phase peptide synthesis using the fmoc-based strategy Source: (synth.) synthetic construct (others) #2: Water | ChemComp-HOH / | |
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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: 4.76 Å3/Da / Density % sol: 74.18 % / Mosaicity: 0.47 ° |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 10 mM Sodium/Potassium phosphate, 50 mM Bis-Tris propane and 10 % w/v PEG 3350 |
-Data collection
Diffraction | Mean temperature: 80 K | |||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.97949 Å | |||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Oct 8, 2015 | |||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 | |||||||||||||||||||||
Reflection | Resolution: 2.7→73.21 Å / Num. obs: 5654 / % possible obs: 100 % / Redundancy: 64.6 % / Biso Wilson estimate: 62.37 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.209 / Rpim(I) all: 0.026 / Rrim(I) all: 0.211 / Net I/σ(I): 21.1 / Num. measured all: 365480 / Scaling rejects: 248 | |||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / % possible all: 100
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-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR | Model details: Phaser MODE: MR_AUTO
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.701→73.206 Å / SU ML: 0.46 / Cross valid method: THROUGHOUT / σ(F): 1.41 / Phase error: 17.96
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||
Displacement parameters | Biso max: 106.67 Å2 / Biso mean: 64.4535 Å2 / Biso min: 34.07 Å2 | ||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.701→73.206 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 2 / % reflection obs: 100 %
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