+Open data
-Basic information
Entry | Database: PDB / ID: 4h8o | ||||||
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Title | Crystal structure of a parallel 6-helix coiled coil CC-Hex-N24 | ||||||
Components | CC-Hex-N24 | ||||||
Keywords | DE NOVO PROTEIN / CC-Hex / parallel / hexameric coiled coil / N-terminal acetylation / C-terminal amidation | ||||||
Biological species | Synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.598 Å | ||||||
Authors | Chi, B. / Zaccai, N.R. / Brady, R.L. / Woolfson, D.N. | ||||||
Citation | Journal: To be Published Title: TBA Authors: Chi, B. / Zaccai, N.R. / Brady, R.L. / 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 | 4h8o.cif.gz | 46.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4h8o.ent.gz | 35.8 KB | Display | PDB format |
PDBx/mmJSON format | 4h8o.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4h8o_validation.pdf.gz | 436.4 KB | Display | wwPDB validaton report |
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Full document | 4h8o_full_validation.pdf.gz | 436.6 KB | Display | |
Data in XML | 4h8o_validation.xml.gz | 10.8 KB | Display | |
Data in CIF | 4h8o_validation.cif.gz | 15.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h8/4h8o ftp://data.pdbj.org/pub/pdb/validation_reports/h8/4h8o | HTTPS FTP |
-Related structure data
Related structure data | 3r46S S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein/peptide | Mass: 3212.780 Da / Num. of mol.: 6 / Source method: obtained synthetically / Details: standard F-moc solid phase peptide synthesis / Source: (synth.) Synthetic construct (others) #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.64 Å3/Da / Density % sol: 53.35 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 3% D-sorbitol, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM trisodium citrate, 20 mM sodium potassium L-tartrate, 20 mM sodium oxamate; 100 mM MES/imidazole pH 6.5; and 10 % PEG 20K, ...Details: 3% D-sorbitol, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM trisodium citrate, 20 mM sodium potassium L-tartrate, 20 mM sodium oxamate; 100 mM MES/imidazole pH 6.5; and 10 % PEG 20K, 20 % PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
-Data collection
Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.97 Å |
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Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97 Å / Relative weight: 1 |
Reflection | Resolution: 1.598→50.9 Å / Num. all: 27793 / Num. obs: 27487 |
-Processing
Software | Name: PHENIX / Version: (phenix.refine: 1.7_650) / Classification: refinement | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3R46 Resolution: 1.598→46.256 Å / SU ML: 0.26 / σ(F): 1.04 / Phase error: 32.05 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 50.059 Å2 / ksol: 0.372 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.598→46.256 Å
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Refine LS restraints |
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LS refinement shell |
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