A core facility of the California State University Program for Education and Research in Biotechnology (CSUPERB) and a core node of the
Science Teaching and Research Bring Undergraduate Research Strengths Through Technology - CyberDiffraction Consortium
We have a new Staff Scientist!
Welcome Dr. Xiang Ouyang (Dr. Sean), who joined CMolS in June.
Modern Biomolecular Crystallography I Workshop
June 23 - 28, 2005 at CSU Fullerton
Watch here for new issues of Center Reflections online (PDF format) Center Reflections is (usually) a bi-monthly publication highlighting activities at CMolS.
The W.M. Keck Foundation Center for Molecular Structure (CMolS),
directed by Professor Katherine
Kantardjieff, houses the first comprehensive x-ray crystallographic facility located
at a predominantly undergraduate institution. The $1.3M Center is a core research and
education facility of the California State University Program for Education and Research
in Biotechnology (CSUPERB), serving the 23-campus California State University, the largest
four-year and Masters' degree-granting public university system in the United States.
CMolS provides faculty and students throughout the CSU the opportunity for joint research
and teaching activities directed at the determination and critical analysis of molecule
structures.
The laboratory provides faculty and students access 2 Indigo2
Extreme 150MHz R8000 Silicon Graphics systems networked to Indigo
R4600 PCs, Challenge L and Challenge XL servers.
Several PCs running Windows NT drive instruments, and along with PCs running
Linux, provide refinement, modeling and analysis software. The entire array is networked by Ethernet
TCP/IP and is remotely accessible for desktop/instrument control.
An assortment of molecular modeling and refinement software, sequence and homology
searching software are available, including: SMART, SAINT, SHELXTL, GADDS (all from
Bruker AXS), CCP4/CCP14, Gaussian98, CaCheWorkGroupPro
(Fujitsu), ICM-Pro/Homology, Mathematica (Wolfram),
WebLabViewer (Accelrys), DeepView, RasMol, SOLVE/RESOLVE, Spartan (Wavefunction),
O, XtalView.
X-ray Diffraction Facilities
The x-ray diffraction
laboratory, located in McCarthy Hall of Letters and Science, houses two high-powered
crystallographic systems for powder, small molecule and macromolecular applications that
satisfy the diverse needs of the CSU. Bruker AXS has provided a completely integrated
HISTAR area detector/ copper rotating anode system for macromolecular structure
determination that can also double as a small molecule diffractometer. The P4/RA
diffraction system allows quick and easy switching between small molecule and
macromolecule configurations. The 2-theta arm on the P4/RA has a dovetail mount that
supports both the area detector and FSD single point detector. Funding from the W.M. Keck
Foundation provided the final piece of instrumentation that makes CMolS a truly dedicated
facility. The SMART CCD system for small molecule structure determination is furnished
with a sealed-tube molybdenum source generator. This detection system provides excellent
spatial resolution with the ability to measure very weak and very strong reflections at
the same time and rapidly. Both systems are equipped for cryogenic work.
The frame buffer included with the HI-STAR area detector serves as a local host computer
to control the data collection process for all applications. For small molecules, it also
processes data sets and solves structures using the SHELXTL/PC software package. Data
processing for macromolecules is handled by the FRAMBO, SMART and SAINT software package,
which are available for use on PC (FRAMBO) and UNIX-based Extreme (SMART and SAINT). The
frame buffer included with the SMART system serves as a local host computer that controls
the data collection process. It will also process data sets, solve and refine small
molecule structures using the SMART and SHELXTL/PC software packages.
In addition, CMolS has taken a leadership role in the CSU in developing an advanced and computer-driven system to serve the needs of distance research and training in x-ray crystallography, and this is the premise upon which the nationwide STaRBURSTT has been founded. Since July 1998, students and faculty in the CSU have shared access to data files and have remote access to the diffractometers using protocols running under WindowsNT™. Furthermore, CMolS regularly offers NSF and CSUPERB sponsored workshops "Crystallography for Chemists", "Modern Biomolecular Crytsallography", "Elements of Structure-Based Drug Design", as well as an upper division/graduate course. We have also developed several experiments in x-ray crystallography for freshman chemistry, physical chemistry and biochemistry laboratories.
Ongoing studies at CMolS include: structural
genomic targets in Mycobacterium tuberculosis; bacterial toxins; cytochromes c' from photosynthetic bacteria; aminoglycoside
6'-N-acetyltransferases; bacterial ADP glucose pyrophos-phorylases;
lactate dehydrogenase from chicken muscle; cyclohexanone oximes; iron nitrosyl
complexes; Cr(0) and W(0) Fisher carbenes;
diasteriomeric titanium complexes with amino acid derived N- and O-pi donor
ligands;
asymmetric
catalysts for the synthesis of biologically active molecules;
NADH oxidase; pharmaceutical polymorphism; structural
bioinformatics; protein engineering; protein crystallization, structure
validation. The use of computers and x-ray
instrumentation and innovative applications are integrated into the undergraduate and
graduate curricula.