+Open data
-Basic information
Entry | Database: PDB / ID: 2ona | ||||||
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Title | MVGGVV peptide derived from Alzheimer's A-beta, residues 35-40 | ||||||
Components | MVGGVV peptide derived from Alzheimer's A-beta, residues 35-40 | ||||||
Keywords | PROTEIN FIBRIL / steric zipper / beta sheet | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.03 Å | ||||||
Authors | Sambashivan, S. / Sawaya, M.R. / Eisenberg, D. | ||||||
Citation | Journal: Nature / Year: 2007 Title: Atomic structures of amyloid cross-beta spines reveal varied steric zippers. Authors: Sawaya, M.R. / Sambashivan, S. / Nelson, R. / Ivanova, M.I. / Sievers, S.A. / Apostol, M.I. / Thompson, M.J. / Balbirnie, M. / Wiltzius, J.J. / McFarlane, H.T. / Madsen, A.O. / Riekel, C. / Eisenberg, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ona.cif.gz | 11.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ona.ent.gz | 7.6 KB | Display | PDB format |
PDBx/mmJSON format | 2ona.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/on/2ona ftp://data.pdbj.org/pub/pdb/validation_reports/on/2ona | HTTPS FTP |
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-Related structure data
Related structure data | 2okzC 2ol9C 2olxC 2ommC 2ompC 2omqC 2on9C 2onvC 2onwC 2onxC 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: VAL / End label comp-ID: VAL / Refine code: 5 / Auth seq-ID: 1 - 6 / Label seq-ID: 1 - 6
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Details | The steric zipper can be generated by repeated application of the crystallographic unit cell translation along the b axis. |
-Components
#1: Protein/peptide | Mass: 560.707 Da / Num. of mol.: 4 / Fragment: residues 35-40 / Source method: obtained synthetically #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 grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 30 mg/mL peptide in water mixed 1:1 with reservoir containing 0.02 M CaCl2, 30% MPD, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID13 / Wavelength: 0.9466 |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Dec 18, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9466 Å / Relative weight: 1 |
Reflection | Resolution: 2→90 Å / Num. obs: 409 / % possible obs: 90.2 % / Observed criterion σ(I): -3 / Redundancy: 1.6 % / Biso Wilson estimate: 25.4 Å2 / Rmerge(I) obs: 0.16 / Χ2: 1.068 / Net I/σ(I): 10.2 |
Reflection shell | Resolution: 2→2.15 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.222 / Num. unique all: 163 / Χ2: 1.124 / % possible all: 94.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: polyalanine idealized beta strand Resolution: 2.03→24.94 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.945 / SU B: 4.305 / SU ML: 0.118 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.481 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 10.788 Å2
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Refinement step | Cycle: LAST / Resolution: 2.03→24.94 Å
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Refine LS restraints |
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Refine LS restraints NCS | Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 2.03→2.085 Å / Total num. of bins used: 20
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