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Microsoft Word - schmitz_et_al_pcs-rosetta_revised_SIChristophe Schmitz, Robert Vernon, Gottfried Otting, David Baker and Thomas Huber Table S0. Biological Magnetic Resonance

Protein Structure Determination 20 Lecture 2: The scattering of Xrays by electrons Wave physics the electromagnetic spectrum Wavelength of X-rays used in crystallography:…

StructureStructure determination through NMRdetermination through NMR Sequential resonance assignment NMR data acquisition 3D structure calculations Collection of conformational…

1 Crystal structure analysisdetermination Analysisdetermination of the crystalmolecular structure of a solid with the help of X-rays or neutrons means because of the 3D periodicity…

Protein Fold Rossmann Fold Protein Domains (Folds) Four main classes: All-α All-β α+β α/β (Membrane and cell surface proteins and peptides) (Small proteins) All-α…

Protein Structure Protein Structure Brianne Morgan, Adrienne Trotto, Alexis Angstadt Secondary Structure 14.9 A repetitive structure of the protein backbone. The two most…

Protein Folding

1 Crystal structure analysis/determination Analysis/determination of the crystal/molecular structure of a solid with the help of X-rays or neutrons means (because of the…

2008.260.655.2.pptIngo Ruczinski Secondary Structure Assignment Eight states from DSSP: • H: α-helix • G: 310 helix • I: π-helix • E: β-strand

X-ray structure determination For determination of the crystal or molecular structure you need: • a crystalline sample powder or single crystal • an adequate electromagnetic…

Structure calculation with the PseudocontactShift effect using the software Rosetta. PCS + ROSETTA = NMR structure determination ? Christophe Schmitz Thomas Huber group The…

structureDr Michael Thrippleton •through space •1D NOE •2D NOESY Relaxation is the process by which magnetisation returns to equilibrium • longitudinal

Single-crystal structure determination from microcrystalline powders (∼5 μm) by an orientation attachment mountable on an in-house X-ray diffractometerCOMMUNICATION

Slide 1E-mail: [email protected] 1. Magnetic Structures and neutron scattering 2. Representation Analysis and Magnetic Structures 3. Magnetic Structure determination. Magnetic Structure

Protein Tertiary Structure Prediction Structural Bioinformatics Primary: amino acid linear sequence. Secondary: -helices, β-sheets and loops. Tertiary: the 3D shape of…

Protein Tertiary Structure Prediction Structural Bioinformatics Primary: amino acid linear sequence. Secondary: -helices, β-sheets and loops. Tertiary: the 3D shape of…

Protein Tertiary Structure Prediction Structural Bioinformatics Primary: amino acid linear sequence. Secondary: -helices, β-sheets and loops. Tertiary: the 3D shape of…

Protein Tertiary Structure Prediction Structural Bioinformatics Primary: amino acid linear sequence. Secondary: -helices, β-sheets and loops. Tertiary: the 3D shape of…

III Determination of Crystal Structure Intensity of a Bragg reflection: Structure factor Electron density 2222 0 hkl SGPrI ⋅⋅⋅= 2 jjjj lzkyhxi j j rGi j jhklG eGfeGfSS…

Slide 109/10/2010 Diffraction Intensities The integrated intensity, I (hkl) (peak area) of each powder diffraction peak with miller indices, hkl, is given by the following