The Centre for Structural Biology and Structural

ChemistryWhat is the CSBSC?

Why was it established?

• The Australian Synchrotron

• The Replacement Research Reactor

The Australian Synchrotron

The Replacement Research Reactor

Small Molecule Structure Determination in the

CSBSCThe School of Chemistry houses one of the world’s best small molecule crystal structure analysis facilities led by Dr Peter Turner:

• Two CCD area detector diffractometers

• Temperature Range 18-400 K

Small Molecule Structure Determination in the

CSBSC

Small Molecule Structure Determination in the

CSBSCDr Peter Turner also leads ScRAPS: small molecule structure determination using synchrotron radiation at APS, Chicago, Illinois

This allows very small and/or poorly diffracting crystals to be analysed.

Powder Diffraction

A/Professor Brendan Kennedy heads our powder diffraction facility. The CSBSC has strong links in powder diffraction with ANSTO and ANBF.

Protein Structure Determination in the

CSBSC

Macromolecular structure determination is based in the School of Molecular and Microbial Biosciences – headed by Dr Mitchell Guss

Structure of PPLO

The dimer interface

Buried surface area per monomer is 8570 Å2

NMR structure determination

Not all proteins can be crystallised and then NMR is used to determine structures

NMR also provides complementary information since it is derived from solution data

NMR structure determination

NMR structure determination

Charge Density Determination

Structure determination is now so precise that we can determine electron densities and, locating orbitals and determining orbital occupancies

The facilities in Sydney are amongst the very best in the world and will soon get better when we take delivery of a new state-of-the art system

Charge Density Determination

Charge Density Determination

SRIXE, XANES, and XAFS

The CSBSC has Australia’s largest concentration of expertise in SRIXE, XANES, and XAFS and leads the world in the application of these techniques to bioinorganic chemistry

Metals under consideration include: V, Cr, Fe, Co, Ni, Cu, Zn, As, Mo, Pt

Elemental maps obtained from an A2780 cell treated with cis-[PtCl4(NH3)2].

KCl Ca

Cu Zn Pt

Determination of Pt distributions using SRIXE

11520 11540 11560 11580 11600 11620

0.00

0.01

0.02

0.03

0.04

0.05

0.06

0.07

0.08

Pt s

ign

al

Energy, KeV

Pt(II)

11520 11540 11560 11580 11600 11620

0.00

0.02

0.04

0.06

0.08

0.10

0.12

Pt s

ign

al

Energy, KeV

Pt(IV)

Monitoring the fate of Pt(IV) How can we determine where and when Pt(IV) complexes are reduced - XANES spectroscopy

MicroXANES of Pt obtained from A2780 ovarian cancer cells treated with Pt(IV)

AcknowledgmentsCSBSCRichard Christopherson (MMB)Carolyn Dillon (EMU/Chem)Mitchell Guss (MMB)Dai Hibbs (Chem)Brendan Kennedy (Chem)Cameron Kepert (Chem)Peter Lay (Chem)Joel Mackay (MMB)Simon Ringer (EMU)Rob Robinson (ANSTO)Siggi Schmid (Chem)

Money

Dean of Science

PVC (CST)

PVC (Research)

VC (SDF)