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  • Experimental phasing opport...
    El Omari, Kamel; Duman, Ramona; Mykhaylyk, Vitaliy; Orr, Christian M; Latimer-Smith, Merlyn; Winter, Graeme; Grama, Vinay; Qu, Feng; Bountra, Kiran; Kwong, Hok Sau; Romano, Maria; Reis, Rosana I; Vogeley, Lutz; Vecchia, Luca; Owen, C David; Wittmann, Sina; Renner, Max; Senda, Miki; Matsugaki, Naohiro; Kawano, Yoshiaki; Bowden, Thomas A; Moraes, Isabel; Grimes, Jonathan M; Mancini, Erika J; Walsh, Martin A; Guzzo, Cristiane R; Owens, Raymond J; Jones, E Yvonne; Brown, David G; Stuart, Dave I; Beis, Konstantinos; Wagner, Armin

    Communications chemistry, 10/2023, Letnik: 6, Številka: 1
    Journal Article

    Despite recent advances in cryo-electron microscopy and artificial intelligence-based model predictions, a significant fraction of structure determinations by macromolecular crystallography still requires experimental phasing, usually by means of single-wavelength anomalous diffraction (SAD) techniques. Most synchrotron beamlines provide highly brilliant beams of X-rays of between 0.7 and 2 Å wavelength. Use of longer wavelengths to access the absorption edges of biologically important lighter atoms such as calcium, potassium, chlorine, sulfur and phosphorus for native-SAD phasing is attractive but technically highly challenging. The long-wavelength beamline I23 at Diamond Light Source overcomes these limitations and extends the accessible wavelength range to λ = 5.9 Å. Here we report 22 macromolecular structures solved in this extended wavelength range, using anomalous scattering from a range of elements which demonstrate the routine feasibility of lighter atom phasing. We suggest that, in light of its advantages, long-wavelength crystallography is a compelling option for experimental phasing.