Repository logo

Infoscience

  • English
  • French
Log In
Logo EPFL, École polytechnique fédérale de Lausanne

Infoscience

  • English
  • French
Log In
  1. Home
  2. Academic and Research Output
  3. Journal articles
  4. Phasing in the presence of severe-site specific radiation damage through dose-dependent modelling of heavy atoms
 
research article

Phasing in the presence of severe-site specific radiation damage through dose-dependent modelling of heavy atoms

Schiltz, M.  
•
Dumas, P.
•
Ennifar, E.
Show more
2004
Acta Crystallographica Section D-Biological Crystallography

The case of a brominated RNA crystal structure determination in which standard three-wavelength MAD phasing was unsuccessful because of fast X-ray-induced debromination was reinvestigated [Ennifar et al. ( 2002), Acta Cryst. D58, 1262 - 1268]. It was found that if the data are kept unmerged and if a dose-stamp is associated with each reflection measurement, dose-dependent occupancies can be refined for the Br atoms. Such a parametrization has been implemented in the macromolecular phasing program SHARP. Re ning such dose-dependent occupancies on an unmerged data set gave a dramatic improvement, even for SAD phases from only the first wavelength (peak), and resulted in a good electron-density map after solvent flattening. The adverse effect of radiation damage has been turned into a beneficial one. The crucial difference is made by the use of unmerged data: phasing power is generated through the intensity differences of symmetry-related reflections recorded at different doses, i.e. corresponding to different states of the X-ray-induced debromination. This approach should prove useful in all situations of experimental phasing where site-specific radiation damage occurs unavoidably and undesirably and not only in cases in which radiation damage is purposely being created in order to demonstrate its potential usefulness.

  • Details
  • Metrics
Type
research article
DOI
10.1107/S0907444904006377
Web of Science ID

WOS:000221572600005

Author(s)
Schiltz, M.  
Dumas, P.
Ennifar, E.
Flensburg, C.
Paciorek, W.
Vonrhein, C.
Bricogne, G.
Date Issued

2004

Published in
Acta Crystallographica Section D-Biological Crystallography
Volume

60

Start page

1024

End page

1031

Note

Part 6

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCR  
Available on Infoscience
March 29, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/229022
Logo EPFL, École polytechnique fédérale de Lausanne
  • Contact
  • infoscience@epfl.ch

  • Follow us on Facebook
  • Follow us on Instagram
  • Follow us on LinkedIn
  • Follow us on X
  • Follow us on Youtube
AccessibilityLegal noticePrivacy policyCookie settingsEnd User AgreementGet helpFeedback

Infoscience is a service managed and provided by the Library and IT Services of EPFL. © EPFL, tous droits réservés