Communications Chemistry (Oct 2023)
Experimental phasing opportunities for macromolecular crystallography at very long wavelengths
- Kamel El Omari,
- Ramona Duman,
- Vitaliy Mykhaylyk,
- Christian M. Orr,
- Merlyn Latimer-Smith,
- Graeme Winter,
- Vinay Grama,
- Feng Qu,
- Kiran Bountra,
- Hok Sau Kwong,
- Maria Romano,
- Rosana I. Reis,
- Lutz Vogeley,
- Luca Vecchia,
- C. David Owen,
- Sina Wittmann,
- Max Renner,
- Miki Senda,
- Naohiro Matsugaki,
- Yoshiaki Kawano,
- Thomas A. Bowden,
- Isabel Moraes,
- Jonathan M. Grimes,
- Erika J. Mancini,
- Martin A. Walsh,
- Cristiane R. Guzzo,
- Raymond J. Owens,
- E. Yvonne Jones,
- David G. Brown,
- Dave I. Stuart,
- Konstantinos Beis,
- Armin Wagner
Affiliations
- Kamel El Omari
- Diamond Light Source, Harwell Science and Innovation Campus
- Ramona Duman
- Diamond Light Source, Harwell Science and Innovation Campus
- Vitaliy Mykhaylyk
- Diamond Light Source, Harwell Science and Innovation Campus
- Christian M. Orr
- Diamond Light Source, Harwell Science and Innovation Campus
- Merlyn Latimer-Smith
- Diamond Light Source, Harwell Science and Innovation Campus
- Graeme Winter
- Diamond Light Source, Harwell Science and Innovation Campus
- Vinay Grama
- Diamond Light Source, Harwell Science and Innovation Campus
- Feng Qu
- Research Complex at Harwell, Rutherford Appleton Laboratory
- Kiran Bountra
- Research Complex at Harwell, Rutherford Appleton Laboratory
- Hok Sau Kwong
- Research Complex at Harwell, Rutherford Appleton Laboratory
- Maria Romano
- Research Complex at Harwell, Rutherford Appleton Laboratory
- Rosana I. Reis
- National Physical Laboratory
- Lutz Vogeley
- Charles River Discovery Research Services UK, Chesterford Research Park
- Luca Vecchia
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- C. David Owen
- Diamond Light Source, Harwell Science and Innovation Campus
- Sina Wittmann
- Department of Biochemistry, University of Oxford
- Max Renner
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- Miki Senda
- Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
- Naohiro Matsugaki
- Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
- Yoshiaki Kawano
- Advanced Photon Technology Division
- Thomas A. Bowden
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- Isabel Moraes
- National Physical Laboratory
- Jonathan M. Grimes
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- Erika J. Mancini
- School of Life Sciences, University of Sussex, Falmer
- Martin A. Walsh
- Diamond Light Source, Harwell Science and Innovation Campus
- Cristiane R. Guzzo
- Department of Microbiology, Institute of Biomedical Sciences, University of São Paulo
- Raymond J. Owens
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- E. Yvonne Jones
- Division of Structural Biology, Wellcome Centre for Human Genetics, University of Oxford
- David G. Brown
- Charles River Discovery Research Services UK, Chesterford Research Park
- Dave I. Stuart
- Diamond Light Source, Harwell Science and Innovation Campus
- Konstantinos Beis
- Research Complex at Harwell, Rutherford Appleton Laboratory
- Armin Wagner
- Diamond Light Source, Harwell Science and Innovation Campus
- DOI
- https://doi.org/10.1038/s42004-023-01014-0
- Journal volume & issue
-
Vol. 6,
no. 1
pp. 1 – 11
Abstract
Abstract 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.
