issue contents

Journal logoJOURNAL OF
ISSN: 1600-5775

January 2003 issue

Special issue on the Contribution of BioXAS to Structural Genomics

Highlighted 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).

facility information

research papers

J. Synchrotron Rad. (2003). 10, 1-3
doi: 10.1107/S0909049502022434
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An introduction to X-ray absorption spectroscopy and structural genomics.

J. Synchrotron Rad. (2003). 10, 4-8
doi: 10.1107/S0909049502017284
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Current results of a canonical structural genomics programme on yeast are presented. Contributions to the structural genomics of several structure-determination methods are discussed.

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

J. Synchrotron Rad. (2003). 10, 16-22
doi: 10.1107/S0909049502022598
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Technical requirements and typical set-ups for both simple and complex biological XAS experiments are summarized.

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

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

J. Synchrotron Rad. (2003). 10, 43-45
doi: 10.1107/S0909049502017223
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Recent developments in the analysis and interpretation of EXAFS and XANES are reviewed.

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

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

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

J. Synchrotron Rad. (2003). 10, 64-68
doi: 10.1107/S0909049502017296
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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 β-lactamase family.

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

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

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

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

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

current events

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

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

international union of crystallography

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