Determination structure using

Woodruff D P, Cowie B C C and Ettem a A R H F 1994 Surface structure determination using x-ray standing waves a simple view J. Rhys.. Condens. 6 10 633—45... 

Doll R and Van Hove M A 1996 Global optimization in LEED structure determination using genetic algorithms Surf. Sc 355 L393-8... 

Tidsweii i M, Lucas C A, Markovic N M and Ross P N 1995 Surface structure determination using anomaious x-ray scattering Underpotentiai deposition of copper on Pt(111) Phys. Rev. B 51 10 205-8... 

This electron microscopy reconstruction has since been extended to high resolution (3 A) where the connections between the helices and the bound retinal molecule are visible together with the seven helices (Figure 12.3c). The helices are tilted by about 20° with respect to the plane of the membrane. This is the first example of a high-resolution three-dimensional protein structure determination using electron microscopy. The structure has subsequently been confirmed by x-ray crystallographic studies to 2 A resolution. 

Walter, R.L., et al. High resolution macromolecular structure determination using CCD detectors and synchrotron radiation. Structure 3 835-844, 1995. 

Zeolite structure determination using electron crystallography... 

Fig. 2.3 Flowchart of NMR structure determination using the Candid method for automated NOE cross peak assignment.

A nice example of an indirect structure determination using the trNOE method is the study of the conformation of a loop of the membrane protein bacteriorhodopsin (BR) [28]. Antibodies were raised against BR, and subsequently the complex of a heptapetide derived from BR was studied in complex with the antibody by trNOE. The bound conformation is a reasonably good representation of the conformation of the peptide in its native state in BR. 

Chukhovskiia, F. N., Poliakovb, A. M. (2003) Domino phase-retrieval algorithm for structure determination using eleetron diffraetion and high-resolution transmission electron microscopy patterns",/Icto Cryst. A59,48-53. 

Figure 3.18 Secondary structure of matrix metalloproteinase 12 (MMP12) (A) PDB lYCM (structure determined using solution NMR) and (B) PDB IRMZ (structure determined using X-ray crystallography). Visualized using The PyMOL Molecular Graphics System and ChemDraw Ultra, version 10.0. (Printed with permission of Delano Scientific, LLC and CambridgeSoft Corporation.) (See color plate)...

Figure 3.18 Secondary structure of matrix metalloproteinase 12 (MMP12) (A) PDB lYCM (structure determined using solution NMR).

Abdel-Meguid, S. S. (1996). Structure determination using isomorphous replacement. Met/jod Mo/. Biol. 56,153-171. 

Holton, J. and Alber, T. (2004). Automated protein crystal structure determination using ELVES. Proc. Natl. Acad. Sci. USA 101,1537-1542. 

Nuclear magnetic resonance solution structure of Hirudin(l-51) and comparison with corresponding three-dimensional structures determined using the complete 65-residue Hirudin polypeptide chain PDB ID IHIC... 

These studies suggested a planar ylidic carbon and definite participation of the P d orbitals in the description of the HOMO. The earliest ab initio study of methylenephosphorane found a very small rotational barrier [0.003 kcal mol-1 (1 kcal = 4.184 kJ)] about the P=C double bond64. These three points, the degree of pyramidalization at the ylidic carbon, the role of the P d orbitals and the P=C rotational barrier, remain the focal points of all theoretical studies of the ylides. A summary of the theoretical structures determined using ab initio techniques is given in Table 7. 

I wish to outline a few of the problems that are currently irritating the processes of elucidation in polymer structure determination using fibre x-ray diffraction patterns. 

In the series of microbubble experiments (ref. 394) included in this chapter, the actual film material, contained in compressed microbubble-surfactant monolayers, was collected for structural determinations using H-nuclear magnetic resonance (NMR) spectroscopy. The resulting spectrum is then compared to the H-NMR spectrum which was obtained beforehand from the partially purified, microbubble surfactant mixture prior to monolayer formation and compression. 

Borbat, P. P., Mchaourab, H. S., and Freed, J. H. (2002). Protein structure determination using long-distance constraints from double-quantum coherence ESR Study of T4 lysozyme. J. Am. Chem. Soc. 124, 5304—5314. 

---