JUNE 30, 2001
|
| 8:45-9:30 |
Registration |
|
| 9:30-9:35 |
Welcome
|
D. Raoux |
Session 1- Introduction to structural genomics and BioXAS
|
Chair: T. Neisius
|
| 9:35-9:45 |
Introduction: new opportunities for BioXAS
|
I. Ascone, R. Fourme and S. Hasnain |
|
9:45-10:30
|
Introduction to structural genomics
|
K. Hodgson
|
|
10:30-10:50
|
Paris-Sud structural genomics programme
|
R. Fourme
|
10:50-11:05
|
Coffee break
|
| 11:05-11:45 |
Introduction to XAS theory
|
R. Natoli
|
11:45-12:30
|
Marriage of XAS and crystallography
|
S. Hasnain
|
| 12:30-14:00 |
lunch |
Session 2- State of the art of XAS programmes
|
Chair: A. Michalowicz
|
14:00-14:40
|
XANES and EXAFS: EXCURV recent developments
|
N. Binsted |
| 14:40-15:05 |
EXAFS: GNXAS
|
A. Di Cicco |
| 15:05-15:30 |
Geometrical fitting of XANES spectra by
a full MS approach: biological applications |
M. Benfatto and S. Della Longa |
| 15:30-16:15 |
New
Developments in the Theory and Interpretation of X-ray Spectra based on
Fast, Parallel Calculations |
J. Rehr |
| 16:15-16:50 |
Calculating
XANES at very low energy |
Y. Joly
|
| 16:50-17:05 |
coffee break |
17:05-18:45
|
Session 3-Present limitations and future developments for XAS
theory and computer programs
|
|
Topics to be discussed:
Common terminology for parameters and terms: transparency of programs to
users.
Development of potential description (low k-data). Error estimation.
Chair and conclusion: K. O. Hodgson
|
General
discussion initiated by panel members
Panel members: M. Benfatto, N.
Binsted, A. Di Cicco,
Y. Joly, R. Natoli, J.
Rehr
|
| 19.00 |
Dinner |
July 1, 2001
|
Session 4- Role and contribution of XAS to biology :
BioXAS uniqueness
Examples and/or mini-reviews on biological topics where XAS has been useful
and/or
unique
|
| |
Chair:
to be defined
|
| 9:00-9:20 |
XAS and time-resolved crystallography (title
to be confirmed) |
C. Schofield |
| 9:20-9:40 |
Studying
Active Site Structures in Metalloproteins using X-ray Absorption
Spectroscopy |
B. Hedman |
| 9:40-10:00 |
Paramagnetic spectroscopies as
validation test for XAS analysis in the structural genomic project |
L. Bubacco |
| 10:00-10:20 |
FEFF 8 in XANES analysis -- a case
study |
W. Meyer-Klaucke |
| 10:20-10:50 |
coffee break |
| 10:50-11:10 |
Linear Dichroism EXAFS on the
Photosystem II manganese complex at 20 K and first results of BioXAS
measurements at room temperature |
H. Dau |
| 11:10-11:30 |
EXAFS Studies of Enzymes of the
Nitrogen Cycle: Cu-Nitrite reductase and MoFe and VFe proteins of
Nitrogenases |
R. Eady |
| 11:30-11:50 |
XAS studies as check and support of
protein structure predictions and determinations |
M. Feiters |
| 11:50-12:10 |
XAS
studies of very dilute systems. The case of skeletal muscle AMP
deaminase-HPRG complex: a zinc enzyme where the maximum metal
concentration attainable is in the 100 mM
range. |
S. Mangani |
| 12:10-12:30 |
|
R. Strange (to be confirmed) |
| 12h30-14h |
Lunch |
Session 5- How to make XAS available to a wider
biologcal community
Topics to be discussed : lines for future developments
in BioXAS. Transfer of tools, methods and programmes from other structural
techniques (e. g.: PX, SAXS and NMR) to BioXAS. Experience from CCP4 (UK
Cooperative Computing Programme) : a CCP for BioXAS? Validation of BioXAS
results. Deposition of BioXAS data and results.
|
Chair: S. Hasnain
|
| 14:00-14:10 |
Overview of available/desirable
options for an effective contribution of BioXAS to structural genomics
|
I. Ascone |
| 14 :10-14:30 |
An overview of the CCP4 project in Protein
Crystallography -or- How to make a community work together |
M. Winn |
| General
discussion initiated by panel members |
S. Mangani, W. Meyer-Klaucke, N. Binsted,
A. Michalowicz, S. Bénazeth, R. Strange (to be confirmed) |
Conclusion of the Study Weekend
|
R. Fourme |
