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Heavy-atom location and phase determination with single-wavelength diffraction data
International Tables for Crystallography (2012). Vol. F, ch. 14.1, pp. 367-372 [ doi:10.1107/97809553602060000844 ]
... heavy-atom location. Part of the review is based on Matthews (1970). 14.1.2. The isomorphous-replacement method | | Consider a protein ... and A, respectively. The intersections of the phase circles at B and B' define two possible phase angles for . Note that ...
Use of difference Fourier syntheses
International Tables for Crystallography (2012). Vol. F, Section 14.1.12, p. 371 [ doi:10.1107/97809553602060000844 ]
Use of difference Fourier syntheses 14.1.12. Use of difference Fourier syntheses The discussion above has focused on the use of difference Patterson functions to locate heavy-atom sites. Once one or more putative sites have been located, they can be used to calculate approximate protein phases, which, in turn, can be ...
Use of anomalous-scattering data in heavy-atom location
International Tables for Crystallography (2012). Vol. F, Section 14.1.11, p. 371 [ doi:10.1107/97809553602060000844 ]
... the heavy-atom scattering, , for every reflection (Kartha & Parthasarathy, 1965a,b; Matthews, 1966a; Singh & Ramaseshan, 1966). One formulation (Matthews, 1966a) can be written as where and w is ...
Location of heavy-atom sites
International Tables for Crystallography (2012). Vol. F, Section 14.1.10, p. 371 [ doi:10.1107/97809553602060000844 ]
Location of heavy-atom sites 14.1.10. Location of heavy-atom sites During the development of protein crystallography, it was understood that heavy-atom sites might be located from difference Patterson functions, but there was substantial debate as to the type of function that was preferable (Perutz, 1956). Blow (1958), and ...
Anomalous scattering without isomorphous replacement
International Tables for Crystallography (2012). Vol. F, Section 14.1.9, p. 371 [ doi:10.1107/97809553602060000844 ]
... they can be utilized to obtain some phase information (e.g. Matthews, 1970). References Hendrickson, W. A. (1991). Determination of macromolecular structures from anomalous diffraction of synchrotron radiation. Science, 254, 51-58. Matthews, B. W. (1970). Determination and refinement of phases ...
The phase probability distribution for anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.8, pp. 370-371 [ doi:10.1107/97809553602060000844 ]
... of can readily be calculated as a function of [varphi] (Matthews, 1966b; Hendrickson, 1979). Thus, if the r.m.s. error in ... is drawn as a dotted-and-dashed line. References Hendrickson, W. A. (1979). Phase information from anomalous-scattering measurements. Acta Cryst. A35, 245-247. Matthews, B. W. (1966b). The extension of the isomorphous ...
Theory of anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.7, pp. 369-370 [ doi:10.1107/97809553602060000844 ]
... scattering difference. The Harker phase circles corresponding to Fig. 14.1.7.1(b) are shown in Fig. 14.1.7.2. It will be seen that ... diagrams illustrating anomalous scattering for the reflections hkl and . (b) Combined vector diagram for reflections hkl and . Figure 14.1.7.2 ... error in the respective measurements (Blow & Rossmann, 1961; North, 1965; Matthews, 1966b). One method is as follows. References Blow, ...
Anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.6, p. 369 [ doi:10.1107/97809553602060000844 ]
... Proc. R. Soc. London Ser. A, 247, 302-336. Hendrickson, W. A. (1991). Determination of macromolecular structures from anomalous diffraction ...
The best Fourier
International Tables for Crystallography (2012). Vol. F, Section 14.1.5, p. 369 [ doi:10.1107/97809553602060000844 ]
The best Fourier 14.1.5. The best Fourier A protein crystallographer desires to obtain a Fourier synthesis that can most readily be interpreted in terms of an atomic model of the structure. One synthesis which could be calculated is the `most probable Fourier', obtained by choosing the value of for each reflection ...
The method of Blow & Crick
International Tables for Crystallography (2012). Vol. F, Section 14.1.4, pp. 368-369 [ doi:10.1107/97809553602060000844 ]
... Fig. 14.1.4.1 (and Fig. 14.1.2.1a) is shown in Fig. 14.1.2.1(b). The two most probable phase angles ( and ) are the ... corresponding to Fig. 14.1.3.1(a) is shown in Fig. 14.1.3.1(b), and in this case the most probable phase is that ...
International Tables for Crystallography (2012). Vol. F, ch. 14.1, pp. 367-372 [ doi:10.1107/97809553602060000844 ]
... heavy-atom location. Part of the review is based on Matthews (1970). 14.1.2. The isomorphous-replacement method | | Consider a protein ... and A, respectively. The intersections of the phase circles at B and B' define two possible phase angles for . Note that ...
Use of difference Fourier syntheses
International Tables for Crystallography (2012). Vol. F, Section 14.1.12, p. 371 [ doi:10.1107/97809553602060000844 ]
Use of difference Fourier syntheses 14.1.12. Use of difference Fourier syntheses The discussion above has focused on the use of difference Patterson functions to locate heavy-atom sites. Once one or more putative sites have been located, they can be used to calculate approximate protein phases, which, in turn, can be ...
Use of anomalous-scattering data in heavy-atom location
International Tables for Crystallography (2012). Vol. F, Section 14.1.11, p. 371 [ doi:10.1107/97809553602060000844 ]
... the heavy-atom scattering, , for every reflection (Kartha & Parthasarathy, 1965a,b; Matthews, 1966a; Singh & Ramaseshan, 1966). One formulation (Matthews, 1966a) can be written as where and w is ...
Location of heavy-atom sites
International Tables for Crystallography (2012). Vol. F, Section 14.1.10, p. 371 [ doi:10.1107/97809553602060000844 ]
Location of heavy-atom sites 14.1.10. Location of heavy-atom sites During the development of protein crystallography, it was understood that heavy-atom sites might be located from difference Patterson functions, but there was substantial debate as to the type of function that was preferable (Perutz, 1956). Blow (1958), and ...
Anomalous scattering without isomorphous replacement
International Tables for Crystallography (2012). Vol. F, Section 14.1.9, p. 371 [ doi:10.1107/97809553602060000844 ]
... they can be utilized to obtain some phase information (e.g. Matthews, 1970). References Hendrickson, W. A. (1991). Determination of macromolecular structures from anomalous diffraction of synchrotron radiation. Science, 254, 51-58. Matthews, B. W. (1970). Determination and refinement of phases ...
The phase probability distribution for anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.8, pp. 370-371 [ doi:10.1107/97809553602060000844 ]
... of can readily be calculated as a function of [varphi] (Matthews, 1966b; Hendrickson, 1979). Thus, if the r.m.s. error in ... is drawn as a dotted-and-dashed line. References Hendrickson, W. A. (1979). Phase information from anomalous-scattering measurements. Acta Cryst. A35, 245-247. Matthews, B. W. (1966b). The extension of the isomorphous ...
Theory of anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.7, pp. 369-370 [ doi:10.1107/97809553602060000844 ]
... scattering difference. The Harker phase circles corresponding to Fig. 14.1.7.1(b) are shown in Fig. 14.1.7.2. It will be seen that ... diagrams illustrating anomalous scattering for the reflections hkl and . (b) Combined vector diagram for reflections hkl and . Figure 14.1.7.2 ... error in the respective measurements (Blow & Rossmann, 1961; North, 1965; Matthews, 1966b). One method is as follows. References Blow, ...
Anomalous scattering
International Tables for Crystallography (2012). Vol. F, Section 14.1.6, p. 369 [ doi:10.1107/97809553602060000844 ]
... Proc. R. Soc. London Ser. A, 247, 302-336. Hendrickson, W. A. (1991). Determination of macromolecular structures from anomalous diffraction ...
The best Fourier
International Tables for Crystallography (2012). Vol. F, Section 14.1.5, p. 369 [ doi:10.1107/97809553602060000844 ]
The best Fourier 14.1.5. The best Fourier A protein crystallographer desires to obtain a Fourier synthesis that can most readily be interpreted in terms of an atomic model of the structure. One synthesis which could be calculated is the `most probable Fourier', obtained by choosing the value of for each reflection ...
The method of Blow & Crick
International Tables for Crystallography (2012). Vol. F, Section 14.1.4, pp. 368-369 [ doi:10.1107/97809553602060000844 ]
... Fig. 14.1.4.1 (and Fig. 14.1.2.1a) is shown in Fig. 14.1.2.1(b). The two most probable phase angles ( and ) are the ... corresponding to Fig. 14.1.3.1(a) is shown in Fig. 14.1.3.1(b), and in this case the most probable phase is that ...
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