X-Ray Crystallography
Photograph of Crystal
A Crystal Structure
The Diffraction Pattern
X-Ray Data & Molecular Structure
The Phase Problem
Data Structures
Shake-and-Bake
Direct Methods
Conventional Direct Methods
Direct Methods of Structure Determination
Useful Relationships for Multiple Trial Phasing
Phasing and Structure Size
Structure of SnB
SnB Parameters
ToxII: SnB Histogram
Tox II: Trace of SnB Solution
ToxII: Quality of Solution (courtesy of S. Ealick)
Vancomycin
Vancomycin Crystal (courtesy of P. Loll)
Vancomycin Crystal Structure Views (courtesy of P.Loll & P. Axelsen)
Some Successful Protein Applications of Shake-and-Bake
Se-Met Problems
Some Successful SeMet Applications of Shake-and-Bake
SnB 2.0: Timings (SGI R10000 Workstation)
Computing Platforms
SnB v2.0: Why a New Version?
SnB Structure Diagram
PPT Slide
SnB and Globus (ANL/USC)
SnB Credits: R. Miller & C.M. Weeks
Contact Information
Email: miller@cse.buffalo.edu
Home Page: http://www.cse.buffalo.edu/pub/WWW/faculty/miller/