Structure Determination of Phosphoric Acid and Phosphate Ions in Aqueous Solution Using EXAFS Spectroscopy and Large Angle X-ray Scattering

2018 ◽  
Vol 122 (37) ◽  
pp. 7413-7420 ◽  
Author(s):  
Ingmar Persson ◽  
Mylène Trublet ◽  
Wantana Klysubun
Keyword(s):  
Aqueous Solution ◽  
Phosphoric Acid ◽  
Structure Determination ◽  
Large Angle ◽  
Exafs Spectroscopy ◽  
X Ray ◽  
Phosphate Ions ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Combining solution wide-angle X-ray scattering and crystallography: determination of molecular envelope and heavy-atom sites

2009 ◽  
Vol 42 (2) ◽  
pp. 259-264 ◽  
Author(s):  
Xinguo Hong ◽  
Quan Hao
Keyword(s):  
Structure Determination ◽  
Heavy Atom ◽  
Unit Cell ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Molecular Envelope ◽  
Waxs Data ◽  
Ray Scattering

Solving the phase problem remains central to crystallographic structure determination. A six-dimensional search method of molecular replacement (FSEARCH) can be used to locate a low-resolution molecular envelope determined from small-angle X-ray scattering (SAXS) within the crystallographic unit cell. This method has now been applied using the higher-resolution envelope provided by combining SAXS and WAXS (wide-angle X-ray scattering) data. The method was tested on horse hemoglobin, using the most probable model selected from a set of a dozen bead models constructed from SAXS/WAXS data using the programGASBORat 5 Å resolution (qmax= 1.25 Å−1) to phase a set of single-crystal diffraction data. It was found that inclusion of WAXS data is essential for correctly locating the molecular envelope in the crystal unit cell, as well as for locating heavy-atom sites. An anomalous difference map was calculated using phases out to 8 Å resolution from the correctly positioned envelope; four distinct peaks at the 3.2σ level were identified, which agree well with the four iron sites of the known structure (Protein Data Bank code 1ns9). In contrast, no peaks could be found close to the iron sites if the molecular envelope was constructed using the data from SAXS alone (qmax= 0.25 Å−1). The initial phases can be used as a starting point for a variety of phase-extension techniques, successful application of which will result in complete phasing of a crystallographic data set and determination of the internal structure of a macromolecule to atomic resolution. It is anticipated that the combination ofFSEARCHand WAXS techniques will facilitate the initial structure determination of proteins and provide a good foundation for further structure refinement.

scholarly journals Topological Structure Determination of RNA Using Small-Angle X-Ray Scattering

2017 ◽  
Vol 429 (23) ◽  
pp. 3635-3649 ◽  
Author(s):  
Yuba R. Bhandari ◽  
Lixin Fan ◽  
Xianyang Fang ◽  
George F. Zaki ◽  
Eric A. Stahlberg ◽  
...  
Keyword(s):  
Structure Determination ◽  
Small Angle ◽  
Topological Structure ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

The Structure of the Hydrated Gallium(III), Indium(III), and Chromium(III) Ions in Aqueous Solution. A Large Angle X-ray Scattering and EXAFS Study

1998 ◽  
Vol 37 (26) ◽  
pp. 6675-6683 ◽  
Author(s):  
Patric Lindqvist-Reis ◽  
Adela Muñoz-Páez ◽  
Sofia Díaz-Moreno ◽  
Sidhartha Pattanaik ◽  
Ingmar Persson ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Exafs Study ◽  
Ray Scattering

scholarly journals Second-Sphere Hydration of Rhodium(III) and Chromium(III) in Aqueous Solution. A Large-Angle X-Ray Scattering and EXAFS Study.

1992 ◽  
Vol 46 ◽  
pp. 1177-1182 ◽  
Author(s):  
Michael C. Read ◽  
Magnus Sandström ◽  
Antonio de la Hoz ◽  
Johan Springborg ◽  
Markku R. Sundberg ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Exafs Study ◽  
Ray Scattering

scholarly journals Magnetic structure determination of Ca3LiOsO6using neutron and x-ray scattering

2012 ◽  
Vol 86 (5) ◽  
Author(s):  
S. Calder ◽  
M. D. Lumsden ◽  
V. O. Garlea ◽  
J. W. Kim ◽  
Y. G. Shi ◽  
...  
Keyword(s):  
Magnetic Structure ◽  
Structure Determination ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Structure determination of Pt-coated Au dumbbellsviafluctuation X-ray scattering

2012 ◽  
Vol 19 (5) ◽  
pp. 695-700 ◽  
Author(s):  
Gang Chen ◽  
Miguel A. Modestino ◽  
Billy K. Poon ◽  
André Schirotzek ◽  
Stefano Marchesini ◽  
...  
Keyword(s):  
Structure Determination ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

scholarly journals Structure determination of nanostructured Ni–Co films by anomalous x-ray scattering

1999 ◽  
Vol 75 (16) ◽  
pp. 2503-2505 ◽  
Author(s):  
G. M. Chow ◽  
W. C. Goh ◽  
Y. K. Hwu ◽  
T. S. Cho ◽  
J. H. Je ◽  
...  
Keyword(s):  
Structure Determination ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Structure Determination of AOT/n-Hexane/Water/Urea Reversed Micelles by Light and Small Angle X-ray Scattering

Langmuir ◽  
1996 ◽  
Vol 12 (20) ◽  
pp. 4638-4643 ◽  
Author(s):  
Carmem Lúcia Costa Amaral ◽  
Rosangela Itri ◽  
Mário José Politi
Keyword(s):  
Structure Determination ◽  
Small Angle ◽  
Reversed Micelles ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering
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