Crystal structure cont

Table 2.1-26D Actinides. Ionic radii (determined from crystal structures), cont.

Fig. 11 Three-dimensional structures of epothilones determined in different environments (O red, S yellow, N dark blue). Top structures of free EpoA determined by X-ray crystallography from dichloromethane/petroleum ether (top left [9 8] (a)) and from methanol/water (top right [143](b)). Bottom structures of EpoA bound to tubulin determined by solution NMR in aqueous medium (bottom left [96]) and by electron crystallography from zinc-stabilized tubulin sheets (bottom right [26]).(a) The crystal structure data have been available from the author to interested research groups since October 1995.(b) H.-J. Hecht, G. Hofle, unpublished results CCDC 241333 and CCDC 241334 contain the crystallographic data of this structure. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retiieving.html (or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK fax (+ 44) 1223-336-033 or deposit cede. cam. ac. uk)...

FIGURE 4,1 (cont d). (b) Diagram illustrating choices of a two-dimensional unit cell from a crystal structure. Each choice encompasses the equivalent of one molecule, (Diagram courtesy S, Silverman,)... 

FIGURE 8.21 (cont d). (c) The rotation function for crystalline insulin. Peaks (highlighted by arrows) correctly indicate the direction of the local twofold symmetry axes. These twofold axes were also indicated in the Patterson function in (b). The actual crystal structure, in the same orientation as in (a) to (c), is shown in (d), with the unit-cell axes a and b, and the local twofold axes indicated by arrows. (From Ref, 65. Courtesy the authors and Academic Press.)... 

FIGURE 9.3 (cont d). (c) Numerical values at grid points from (a) are contoured at regular intervals (50, 75, 100, 125, 150 here), (d) General contours minus the grid points and numerical values. This is what is now usually shown in published crystal-structure reports. 

FIGURE 11.6 (cont d). (c) View onto a benzene molecule in the crystal structure, showing the intermolecular interactions listed in (b). Carbon and hydrogen atoms drawn with filled circles are those in one asymmetric unit. Positions of all other atoms are generated from these by application of the symmetry operations of the space group. 

FIGURE 15.9 (cont d). Crystal structure of an aralkylated peptide showing segregation of hydrophobic and hydrophilic portions of molecules into different regions as they pack, (b) Diagram of the molecular packing, and (c) view of the crystal structure. Crystals contain two molecules of water per alkylated peptide molecule (Ref. 61). 

FIGURE 15.12 (cont d). (b) Crystal structure of 1,3,7,9-tetramethyluric acid and pyrene, (c) HOMO/LUMO overlaps for PAH-TNB complexes. Shown are signs of the wave functions (not electronic charge) for the HOMO and LUMO, and the overlap of molecules observed in the crystalline state (as predicted from the HOMO/LUMO overlap of positive with positive wave functions). 

Three interfaces in the sample of 75 complexes of Lo Conte et al. (1999) have B 1150 A, just below the range 1200-2000 A dehning the standard size. The distinction may be spurious, due to experimental error or to missing contacts. In two of the crystal structures, one of the components is not the complete protein, and, therefore, the interface may be incomplete as in the HIV gp 120-CD4-Fab 27 crystal. These are the complex of a domain of Che A with Che Y [PDB code, laOo (Welch et al., 1998)], implicated in the two-component system of bacterial signal transduction, and the complex of a domain of the HIV capsid protein with cyclophilin [PDB code, lak4 (Gamble etal., 1996)]. 

Table 3. (cont.) Crystal structure and lattice parameters. ... 

Fig. 35. cont.) Paulingite. (b) A polyhedral representation of the one unit cell of the crystal structure [96B1, 10H2]. The nomenclature of cavities follows the original work grc is a great rhombicuboctahedron. (c) A complete scheme of cavities in the unit cell. Spheres correspond to the free volume of cavities channel diameters are proportional [10H2]. (cont.)... 

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