Simulation and optimization of a sub-micron beam for macromolecular crystallography using SHADOW and XOP at GM/CA CAT at the APS

Zunping Liu; Shenglan Xu; Derek W. Yoder; Robert F. Fischetti

doi:10.1117/12.894173

9 September 2011 Simulation and optimization of a sub-micron beam for macromolecular crystallography using SHADOW and XOP at GM/CA CAT at the APS

Zunping Liu, Shenglan Xu, Derek W. Yoder, Robert F. Fischetti

Author Affiliations +

Proceedings Volume 8129, Novel Optical Systems Design and Optimization XIV; 81290E (2011) https://doi.org/10.1117/12.894173
Event: SPIE Optical Engineering + Applications, 2011, San Diego, California, United States

Abstract

The small, high intensity and low convergence beams available on beamlines at 3rd generation synchrotron sources have been a boon to macromolecular crystallography. It is now becoming routine to solve structures using a beam in the 5 - 20 micron (FWHM) range. However, many problems in structural biology suffer from poor S/N due to small (a few microns) crystals or larger inhomogenous crystals. In additional, theoretical calculations and experimental results have demonstrated that radiation damage may be reduced by using a micron-sized X-ray beam. At GM/CA CAT we are developing a sub-micron, low convergence beam to address these issues. The sub-micron beam capability will be developed on the existing beamline 23ID-D where the minimum beam size available to users is currently 5 microns in diameter. The target goals are a beam size of ~0.8 micron (FWHM) in diameter, with a beam convergence of less 0.6 milli-rads, a flux greater than 5×10¹⁰ photons/sec, and an energy range from 5 to 35 keV. Five optical systems will be compared: 1) a single set of highly demagnifying Kirkpatrick-Baez (K-B) mirrors, 2) multiple Fresnel Zone Plates (FZP), 3) a set of K-B mirrors focusing to a secondary source that is imaged by another set of K-B mirrors, 4) a set of K-B mirrors focusing to a secondary source that is imaged by a FZP, 5) a horizontal focusing mirror focusing to a secondary source that is imaged by another horizontal mirror together with a vertical focusing mirror. Here we will present the results of a design optimization based on ray trace simulations (SHADOW), flux calculations (XOP), and experimental results on 23ID.

Citation Download Citation

Zunping Liu, Shenglan Xu, Derek W. Yoder, and Robert F. Fischetti "Simulation and optimization of a sub-micron beam for macromolecular crystallography using SHADOW and XOP at GM/CA CAT at the APS", Proc. SPIE 8129, Novel Optical Systems Design and Optimization XIV, 81290E (9 September 2011); https://doi.org/10.1117/12.894173

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available