Journal of Synchrotron Radiation

 

J. Synchrotron Rad. (2005). 12, 1-3  [ doi:10.1107/S0909049504033412 ]

Metallogenomics and biological X-ray absorption spectroscopy

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

Synopsis: An overview of the second special issue of the journal on biological applications of X-ray absorption spectroscopy is presented.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 4-7  [ doi:10.1107/S0909049504027864 ]

Towards the high-throughput expression of metalloproteins from the Mycobacterium tuberculosis genome

J. F. Hall, M. J. Ellis, T. Kigawa, T. Yabuki, T. Matsuda, E. Seki, S. S. Hasnain and S. Yokoyama

Synopsis: Attempts to produce high-quality protein from the MTB genome using the established pET expression system in E.  coli are shown. The difficulties encountered at each stage are assessed and the need for alternative purification methodologies are suggested.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 8-12  [ doi:10.1107/S0909049504027840 ]

High-throughput production of Pyrococcus furiosus proteins: considerations for metalloproteins

F. E. Jenney, P. S. Brereton, M. Izumi, F. L. Poole II, C. Shah, F. J. Sugar, H.-S. Lee and M. W. W. Adams

Synopsis: Some relevant issues for high-throughput production of recombinant proteins in Escherichia coli are discussed, with consideration for possible bound cofactors such as metals.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 13-18  [ doi:10.1107/S0909049504027852 ]

Heterologous metalloprotein biosynthesis in Escherichia coli: conditions for the overproduction of functional copper-containing nitrite reductase and azurin from Alcaligenes xylosoxidans

R. L. Harris, M. Prudêncio, S. S. Hasnain, R. R. Eady and R. G. Sawers

Synopsis: Heterologous overproduction of the copper proteins nitrite reductase and azurin I from Alcaligenes xylosoxidans in Escherichia coli is described. Optimisation of conditions delivered recombinant proteins that were biochemically and spectroscopically indistinguishable from the native proteins.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 19-22  [ doi:10.1107/S0909049504028791 ]

Bottlenecks and roadblocks in high-throughput XAS for structural genomics

R. A. Scott, J. E. Shokes, N. J. Cosper, F. E. Jenney and M. W. W. Adams

Synopsis: Technological developments that will be required to perform high-throughput X-ray absorption spectroscopy on components of an organism's proteome are described. These will allow characterization of the organism's metalloproteome, relating metal-site structure and assembly to environmental stress or developmental state.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 23-27  [ doi:10.1107/S0909049504027839 ]

Integrated instrumentation for combined polarized single-crystal XAS and diffraction data acquisition for biological applications

M. J. Latimer, K. Ito, S. E. McPhillips and B. Hedman

Synopsis: Integrated instrumentation for polarized single-crystal X-ray absorption spectroscopy and crystallography has been developed and implemented on SSRL beamline 9-3, with initial data for a macromolecular application presented.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 28-34  [ doi:10.1107/S0909049504027827 ]

Mo K- and L-edge X-ray absorption spectroscopic study of the ADP·AlF₄^--stabilized nitrogenase complex: comparison with MoFe protein in solution and single crystal

M. C. Corbett, F. A. Tezcan, O. Einsle, M. Y. Walton, D. C. Rees, M. J. Latimer, B. Hedman and K. O. Hodgson

Synopsis: The local geometric and electronic structure about the Mo atom in the iron-molybdenum cofactor of nitrogenase in isolated MoFe protein and in the ADP·AlF₄^--stabilized MoFe protein-Fe protein complex, as determined by Mo X-ray absorption spectroscopy (XAS), are compared. Additionally, initial polarized Mo K-edge XAS results from a MoFe protein crystal obtained using the new SSRL single-crystal XAS instrumentation are presented.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 35-44  [ doi:10.1107/S0909049504027803 ]

A novel BioXAS technique with sub-millisecond time resolution to track oxidation state and structural changes at biological metal centers

M. Haumann, C. Müller, P. Liebisch, T. Neisius and H. Dau

Synopsis: Time-resolved BioXAS measurements with sub-millisecond resolution are employed to monitor transitions in the catalytic cycle of photosynthetic water oxidation. A novel approach termed `sampling-XAS' is presented and its feasibility to resolve rapid structure and oxidation state changes is demonstrated.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 45-52  [ doi:10.1107/S0909049504028821 ]

Towards an automated quality control of XAS data

B. Lippold, W. Meyer-Klaucke, T. Meyer and G. Henkel

Synopsis: Different statistical criteria and procedures for the quality control of fluorescence XAS spectra are compared and a quality control system for such data is developed.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 53-56  [ doi:10.1107/S090904950402881X ]

New methods for EXAFS analysis in structural genomics

G. Bunker, N. Dimakis and G. Khelashvili

Synopsis: New methods for EXAFS data analysis are described.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 57-69  [ doi:10.1107/S090904950402878X ]

Advanced detection systems for X-ray fluorescence excitation spectroscopy

J. Goulon, A. Rogalev, G. Goujon, C. Gauthier, E. Moguiline, A. Solé, S. Feite, F. Wilhelm, N. Jaouen, C. Goulon-Ginet, P. Dressler, P. Rohr, M.-O. Lampert and R. Henck

Synopsis: A variety of applications can be covered with standard photodiodes. Commissioning tests of a 35-element array of Si drift-diodes were completed; numerical deconvolution was found to yield well resolved fluorescence lines. Higher energy resolution typically required for RIXS studies was achieved using a high-vacuum-compatible crystal analyzer suitable for polarization analyses.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 70-74  [ doi:10.1107/S0909049504027876 ]

Bayes-Turchin approach to XAS analysis

J. J. Rehr, J. Kozdon, J. Kas, H. J. Krappe and H. H. Rossner

Synopsis: The Bayes-Turchin approach has been applied to XAS analysis.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 75-79  [ doi:10.1107/S0909049504028808 ]

Quantitative analysis of XANES spectra of disordered systems based on molecular dynamics

O. M. Roscioni, P. D'Angelo, G. Chillemi, S. Della Longa and M. Benfatto

Synopsis: A general procedure which computes X-ray absorption near-edge structure spectra starting from the individual configurations obtained from molecular dynamics simulations has been developed and applied to the study of a Ni²⁺ aqueous solution.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 80-84  [ doi:10.1107/S0909049504027888 ]

Theory of Ca L_2,3-edge XAS using a novel multichannel multiple-scattering method

P. Krüger and C. R. Natoli

Synopsis: A multichannel extension to multiple-scattering theory for X-ray absorption spectroscopy (XAS) calculations is presented and applied to the L_2,3-edge XAS of calcium, an important element for biological applications of XAS.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 85-93  [ doi:10.1107/S0909049504027815 ]

X-ray absorption spectroscopic studies on model compounds for biological iodine and bromine

M. C. Feiters, F. C. Küpper and W. Meyer-Klaucke

Synopsis: X-ray absorption spectra of a number of organic iodine and bromine compounds of biological relevance have been measured. The position of the iodine K edge is found to be sensitive to formal valence (among other factors), and EXAFS spectra of organic iodides and bromides can be used to discriminate between aliphatic and aromatic compounds.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 94-97  [ doi:10.1107/S090904950402789X ]

Integration of XAS and NMR techniques for the structure determination of metalloproteins. Examples from the study of copper transport proteins

L. Banci, I. Bertini and S. Mangani

Synopsis: The synergism of NMR and XAS spectroscopies for completing and speeding up the structure determination of metalloproteins is described. The usefulness of the approach in structural genomic projects is highlighted.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 98-101  [ doi:10.1107/S0909049504028833 ]

XANES quantitative structural determination of the sandwich bis(naphthalocyaninato) cerium complex

Z. Y. Wu, Y. Tao, M. Benfatto, D. C. Xian and J. Z. Jiang

Synopsis: The molecular structure of the sandwich double-decker bis(naphthalocyaninato) cerium complex was determined for the first time in a quantitative way using a new method of analysis of the Ce L₃-edge XANES in the framework of the full multiple scattering theory.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 102-110  [ doi:10.1107/S0909049504028845 ]

Multiple-scattering XAS calculations for the characterization of the binuclear (type 3) copper sites of hemocyanins and related model compounds

E. Borghi and P. L. Solari

Synopsis: Multiple-scattering calculations for the XAS spectra of met-forms of hemocyanins, performed to refine the structure of their copper 3 active site, are presented.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 111-114  [ doi:10.1107/S0909049504031413 ]

Investigation of zinc-containing peptide deformylase from Leptospira interrogans by X-ray absorption near-edge spectroscopy

S. Li, Z. Zhou, W. Chu, W. Gong, M. Benfatto, T. Hu, Y. Xie, D. Xian and Z. Wu

Synopsis: X-ray absorption spectroscopy has been employed to determine the local structure around the zinc ion of peptide deformylase from Leptospira interrogans in dry powder. XANES calculations were performed and the local geometry of the active center was reconstructed successfully.

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 115  [ doi:10.1107/S0909049504033783 ]

Current events

Online 23 December 2004

 

J. Synchrotron Rad. (2005). 12, 117-121  [ doi:10.1107/S090904950402850X ]

Notes for authors 2005

Online 23 December 2004