Surface-structure determination using anomalous x-ray scattering: Underpotential deposition of copper on Pt(111)

1995 ◽  
Vol 51 (15) ◽  
pp. 10205-10208 ◽  
Author(s):  
I. M. Tidswell ◽  
C. A. Lucas ◽  
N. M. Marković ◽  
P. N. Ross
Keyword(s):  
Surface Structure ◽  
Structure Determination ◽  
Underpotential Deposition ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

Leather Structure Determination by Small-Angle X-ray Scattering (SAXS): Cross Sections of Ovine and Bovine Leather

2010 ◽  
Vol 58 (9) ◽  
pp. 5286-5291 ◽  
Author(s):  
Melissa M. Basil-Jones ◽  
Richard L. Edmonds ◽  
Timothy F. Allsop ◽  
Sue M. Cooper ◽  
Geoff Holmes ◽  
...  
Keyword(s):  
Cross Sections ◽  
Structure Determination ◽  
Small Angle ◽  
X Ray ◽  
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 In situ structural study on underpotential deposition of Ag on Au(111) electrode using surface X-ray scattering technique

2002 ◽  
Vol 532 (1-2) ◽  
pp. 201-205 ◽  
Author(s):  
Toshihiro Kondo ◽  
Jun Morita ◽  
Masayuki Okamura ◽  
Toshiya Saito ◽  
Kohei Uosaki
Keyword(s):  
Structural Study ◽  
Underpotential Deposition ◽  
X Ray ◽  
X Ray Scattering ◽  
Scattering Technique ◽  
Ray Scattering

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

Determination Of The α-Al2O3(0001) Surface Relaxation and Termination by Measurements of Crystal Truncation Rods

1996 ◽  
Vol 437 ◽  
Author(s):  
P. Guenard ◽  
G. Renaud ◽  
A. Barbier ◽  
M. Gautier-Soyer
Keyword(s):  
Surface Structure ◽  
Chemical Nature ◽  
Theoretical Calculations ◽  
Grazing Incidence ◽  
Surface Relaxation ◽  
X Ray ◽  
X Ray Scattering ◽  
Α Al2o3 ◽  
Ray Scattering

AbstractWe have investigated the unreconstructed (0001) surface structure of sapphire (α-Al2O3) by Grazing Incidence X-ray Scattering. Modulations along the crystal truncation rods were analyzed in order to determine the chemical nature of the terminating plane, and the structural relaxations of the first few atomic planes below the surface. The most likely model yields a single Al layer termination with relaxations of the first four planes of -51%, +16%, -29% and +20% respectively. These results compare well with the most recent theoretical calculations on this surface.

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