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In contrast to NMR, which is an indirect spectroscopic method, no size limitation exists for the molecule or complex to be studied. The price for the high accuracy of crystallographic structures is that a good crystal must be found, and that limited information about the molecule's dynamic behavior in solution is available from one single diffraction experiment...
        
        
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"In the core regions of the molecules, X-ray and NMR structures agree very well, and enzymes maintain their activity even in crystals, which often requires the design of non-reactive substrates to study enzyme mechanisms." (Rupp, 2005)
Hodgkin's pioneering efforts in developing techniques for x-ray crystallography has resulted in the discovery of the molecular structure of penicillin, vitamin b-12 and insulin...
        
        
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