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In general, small molecules are also easier to crystallize than macromolecules; however, X-ray crystallography has proven possible even for viruses and proteins with hundreds of thousands of atoms, through improved crystallographic imaging and technology. [96] The technique of single-crystal X-ray crystallography has three basic steps.
The first of these is by X-ray crystallography, starting in 1958 when the crystal structure of myoglobin was determined. The second method is by NMR, which began in the 1980s when Kurt Wüthrich outlined the framework for NMR structure determination of proteins and solved the structure of small globular proteins. [5]
Crystallography is a broad topic, and many of its subareas, such as X-ray crystallography, are themselves important scientific topics. Crystallography ranges from the fundamentals of crystal structure to the mathematics of crystal geometry , including those that are not periodic or quasicrystals .
Nucleic acid NMR is the use of NMR spectroscopy to obtain information about the structure and dynamics of nucleic acid molecules, such as DNA or RNA. As of 2003, nearly half of all known RNA structures had been determined by NMR spectroscopy. [2] Nucleic acid NMR uses similar techniques as protein NMR, but has several differences.
[3] [4] Contrary to X-ray, single crystals are not necessary with solid-state NMR and structural information can be obtained from high-resolution spectra of disordered solids. [5] E.g. polymorphism is an area of interest for NMR crystallography since this is encountered occasionally (and may often be previously undiscovered) in organic ...
A common goal of these investigations is to obtain high resolution 3-dimensional structures of the protein, similar to what can be achieved by X-ray crystallography. In contrast to X-ray crystallography, NMR spectroscopy is usually limited to proteins smaller than 35 kDa, although larger structures have been solved. NMR spectroscopy is often ...
XANES – XANES, synonymous with NEXAFS (near edge X-ray absorption fine structure) XAS – X-ray absorption spectroscopy; X-CTR – X-ray crystal truncation rod scattering; X-ray crystallography; XDS – X-ray diffuse scattering; XES – X-ray emission spectroscopy; XPEEM – X-ray photoelectron emission microscopy; XPS – X-ray photoelectron ...
One can further use the X-ray or neutron scattering data and fit separate domains (X-ray or NMR structures) into the "SAXS envelope". In a scattering experiment, a solution of macromolecules is exposed to X-rays (with wavelength λ typically around 0.15 nm) or thermal neutrons ( λ ≈0.5 nm).