Journal of Synchrotron Radiation

Volume 10, Part 1 (January 2003)


Special issue on the Contribution of BioXAS to Structural Genomics


[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Ribbon diagram and a close-up of the metal sites and the bridging His61 of CuZn bovine superoxide dismutase (see Hasnain & Strange, pages 9-15), and an artist's impression of SOLEIL, Saint Aubin, France (courtesy Chaix & Morel and associates).

research papers


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J. Synchrotron Rad. (2003). 10, 1-3  [ doi:10.1107/S0909049502022434 ]

Introductory overview: X-ray absorption spectroscopy and structural genomics

I. Ascone, R. Fourme and S. S. Hasnain

Synopsis: An introduction to X-ray absorption spectroscopy and structural genomics.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 4-8  [ doi:10.1107/S0909049502017284 ]

A structural genomics initiative on yeast proteins

S. Quevillon-Cheruel, B. Collinet, C.-Z. Zhou, P. Minard, K. Blondeau, G. Henkes, R. Aufrère, J. Coutant, E. Guittet, A. Lewit-Bentley, N. Leulliot, I. Ascone, I. Sorel, P. Savarin, I. L. de La Sierra Gallay, F. de la Torre, A. Poupon, R. Fourme, J. Janin and H. van Tilbeurgh

Synopsis: Current results of a canonical structural genomics programme on yeast are presented. Contributions to the structural genomics of several structure-determination methods are discussed.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 9-15  [ doi:10.1107/S0909049502022446 ]

Marriage of XAFS and crystallography for structure-function studies of metalloproteins

S. S. Hasnain and R. W. Strange

Synopsis: High-resolution X-ray crystallography and XAFS are a powerful combination for structure-function studies of metalloproteins, which make up a significant (~30%) proportion of the known genomes.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 16-22  [ doi:10.1107/S0909049502022598 ]

Experimental aspects of biological X-ray absorption spectroscopy

I. Ascone, W. Meyer-Klaucke and L. Murphy

Synopsis: Technical requirements and typical set-ups for both simple and complex biological XAS experiments are summarized.

Online 24 December 2002


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J. Synchrotron Rad. (2003). 10, 23-25  [ doi:10.1107/S0909049502017235 ]

An overview of the CCP4 project in protein crystallography: an example of a collaborative project

M. D. Winn

Synopsis: An overview of the activities of the Collaborative Computational Project Number 4 in protein crystallography is presented. Ideas and examples are given that may be applicable to the biological XAS community.

Online 24 December 2002


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J. Synchrotron Rad. (2003). 10, 26-42  [ doi:10.1107/S0909049502017247 ]

X-ray absorption spectroscopy: state-of-the-art analysis

C. R. Natoli, M. Benfatto, S. Della Longa and K. Hatada

Synopsis: This paper aims at providing the theoretical background for full spectral fitting of the X-ray near-edge absorption energy region and beyond for the purpose of structural analysis, with an eye to biological applications.

Online 24 December 2002


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J. Synchrotron Rad. (2003). 10, 43-45  [ doi:10.1107/S0909049502017223 ]

New developments in the theory and interpretation of X-ray spectra based on fast parallel calculations

J. J. Rehr and A. L. Ankudinov

Synopsis: Recent developments in the analysis and interpretation of EXAFS and XANES are reviewed.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 46-50  [ doi:10.1107/S0909049502017193 ]

Local structure in molecular complexes probed by multiple-scattering XAS

A. Di Cicco

Synopsis: The GNXAS method for multiple-scattering data analysis of EXAFS data and results recently obtained on molecular complexes relevant to biological matter are briefly reviewed and discussed.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 51-57  [ doi:10.1107/S0909049502018137 ]

The MXAN procedure: a new method for analysing the XANES spectra of metallo­proteins to obtain structural qu­antitative information

M. Benfatto, S. Della Longa and C. R. Natoli

Synopsis: This paper presents a new software procedure able to perform structural fits in the XANES energy range. The method is presented in detail with some applications: the metal K-edge of metal ions in water solution and the iron K-edge in the carbonmonoxy-myoglobin single crystal.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 58-63  [ doi:10.1107/S0909049502017211 ]

Calculating X-ray absorption near-edge structure at very low energy

Y. Joly

Synopsis: Overview of the biological applications of X-ray absorption near-edge structure at very low energy and presentation of a new method of calculating the spectra potentially applicable to metalloproteins.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 64-68  [ doi:10.1107/S0909049502017296 ]

Simulating the XANES of metalloenzymes - a case study

A. Mijovilovich and W. Meyer-Klaucke

Synopsis: The influence of bond length and coordination number on simulated XANES spectra is studied and compared with experimental data for enzymes of the 2-His-1-carboxylate family and the metallo [beta]-lactamase family.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 69-70  [ doi:10.1107/S0909049502017260 ]

XAS of dilute biological samples

M. Ranieri-Raggi, A. Raggi, D. Martini, M. Benvenuti and S. Mangani

Synopsis: Third-generation synchrotron X-ray sources allow high-quality XAS data on biological samples to be obtained, where the metal concentration is in the 100 mM range.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 71-75  [ doi:10.1107/S0909049502017272 ]

XAFS studies of nitrogenase: the MoFe and VFe proteins and the use of crystallographic coordinates in three-dimensional EXAFS data analysis

R. W. Strange, R. R. Eady, D. Lawson and S. S. Hasnain

Synopsis: Crystallographic models of metal centres in metalloproteins at less than atomic resolution can be improved by applying EXAFS-derived distance restraints during the early stages of refinement. This is demonstrated for the Mo coordination of the FeMoco cluster of Klebsiella pneumoniae nitrogenase.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 76-85  [ doi:10.1107/S090904950201720X ]

X-ray absorption spectroscopy to watch catalysis by metallo­enzymes: status and perspectives discussed for the water-splitting manganese complex of photosynthesis

H. Dau and M. Haumann

Synopsis: X-ray absorption spectroscopy facilitates detailed investigations on biological catalysis. The current status and perspectives of research on structural and oxidation-state changes at the metal site of biological metalloenzymes are discussed using water oxidation at the manganese complex of photosynthesis as an example.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 86-95  [ doi:10.1107/S0909049502016205 ]

X-ray absorption spectroscopic studies of zinc in the N-terminal domain of HIV-2 integrase and model compounds

M. C. Feiters, A. P. A. M. Eijkelenboom, H.-F. Nolting, B. Krebs, F. M. I. van den Ent, R. H. A. Plasterk, R. Kaptein and R. Boelens

Synopsis: X-ray absorption spectroscopy, including extended X-ray absorption fine structure and X-ray absorption near-edge structure analysis, has been carried out at the Zn K edge of the N-terminal part of the integrase protein of the human immunodeficiency virus, type 2 (HIV-2), and of some zinc coordination compounds.

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 96-102  [ doi:10.1107/S0909049502017259 ]

X-ray absorption spectroscopy of low-molar-mass metallic complexes in pharmacy

I. Nicolis, E. Curis, P. Deschamps and S. Bénazeth

Synopsis: Various uses of X-ray absorption spectroscopy and imaging in pharmaceutical science are presented through a number of examples focused on low-molecular-mass species.

Online 24 December 2002


current events


 

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J. Synchrotron Rad. (2003). 10, 103  [ doi:10.1107/S0909049502022835 ]

Thailand source (Siam photon project) takes off

Online 24 December 2002


 

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J. Synchrotron Rad. (2003). 10, 103  [ doi:10.1107/S0909049502022847 ]

SESAME upgrades to 2 GeV and holds its first users meeting

Online 24 December 2002


international union of crystallography


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J. Synchrotron Rad. (2003). 10, 104-111  [ doi:10.1107/S0909049502022574 ]

Notes for authors 2003

Online 24 December 2002


 

J. Synchrotron Rad. (2003). 10, 112

forthcoming meetings and short courses


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