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Results for DC.creator="G." AND DC.creator="A." AND DC.creator="Mair" in section 25.1.3 of volume F page 1 of 2 pages. |
Analysis of the structure at 2Å resolution
International Tables for Crystallography (2012). Vol. F, Section 25.1.3, pp. 854-866 [ doi:10.1107/97809553602060000899 ]
... chymotrypsinogen (Kraut et al., 1962) at 6Å resolution was published a few months before the corresponding work on lysozyme. Compared with ... as to suggest that only the structures of proteins with a high [alpha]-helical content would be amenable to study by ... and the use of anomalous scattering in phase determination. At a purely practical level, one of our major concerns was ...
The electron-density map at 2Å resolution
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.10, pp. 863-864 [ doi:10.1107/97809553602060000899 ]
... team in early 1964 with the specific task of writing a program for calculating the 2Å electron-density map. Fortunately, at ... of London Computing Centre was in the course of acquiring a Ferranti ATLAS computer, which was then one of the most ... was calculated at 1/120ths of the cell edge along a and b, and 1/60ths along c. The output ...
Calculation of phase values
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.9, pp. 862-863 [ doi:10.1107/97809553602060000899 ]
... anomalous-scattering data were examined. For many reflections, they allowed a choice to be made between two apparently equally probable values ... data. This procedure was clearly rather arbitrary and subjective, and a method of combining anomalous scattering with isomorphous replacement in a more rigorous way was described by Blow & Rossmann (1961) ...
Final refinement of heavy-atom parameters
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.8, p. 862 [ doi:10.1107/97809553602060000899 ]
... the R factors and occupancies of the heavy atoms as a function of sin[theta] showed that the heavy-atom compounds ... particularly the uranyl complexes, could not be modelled well by a single atom, but that it was necessary to take into ... first thought was to model the complex in terms of a central U atom, surrounded by a spherical shell of ...
The crystal-type problem
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.7, pp. 861-862 [ doi:10.1107/97809553602060000899 ]
... notice that this phenomenon had been mentioned years earlier in a study of lysozyme (Corey et al., 1952). A preliminary analysis of the differences in the diffraction patterns suggested ... to be more consistent with two discrete diffraction patterns than a continuum of patterns lying between two extremes. The two ...
Further stages of data processing
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.6, pp. 860-861 [ doi:10.1107/97809553602060000899 ]
... by VRS, who had discussed the work with DCP at a meeting in Madras in January 1963 and who joined the ... six reciprocal-lattice levels measured from crystals rotated about the a axis, and the other two comprising the odd and even ... one another, but each had rows in common with the a-axis data. Extraction of the related rows permitted the ...
Absorption corrections
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.5.1, p. 860 [ doi:10.1107/97809553602060000899 ]
... rays by protein crystals is low compared with crystals having a preponderance of heavier atoms, corrections for absorption are required in ... atoms or anomalous dispersion. The mounting of protein crystals within a glass capillary, normally with a small amount of mother liquor between the crystal and ...
Data processing
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.5, pp. 859-860 [ doi:10.1107/97809553602060000899 ]
... tape facilities) resulted in data processing being carried out in a series of stages, each of limited complexity. Input and output ... input being in the form of computer-generated output from a previous stage, starting with the diffractometer output tapes. This approach resulted in a great reduction in manual labour and intervention compared with ...
Diffractometer output
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.4.2, p. 859 [ doi:10.1107/97809553602060000899 ]
... The output from the triple-counter diffractometer again consisted of a plain-language output for immediate checking of the results and ...
Experimental methods
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.4.1, pp. 858-859 [ doi:10.1107/97809553602060000899 ]
... lattice hemisphere with C and positive. Reflections were scanned along A, and the origin of the scanning slide was offset for ... was turned through 90° from this position, the reflection of a light held level with the microscope could often be seen ... the measurement of each triplet of reciprocal-lattice levels as a check on the stability of the whole system and ...
International Tables for Crystallography (2012). Vol. F, Section 25.1.3, pp. 854-866 [ doi:10.1107/97809553602060000899 ]
... chymotrypsinogen (Kraut et al., 1962) at 6Å resolution was published a few months before the corresponding work on lysozyme. Compared with ... as to suggest that only the structures of proteins with a high [alpha]-helical content would be amenable to study by ... and the use of anomalous scattering in phase determination. At a purely practical level, one of our major concerns was ...
The electron-density map at 2Å resolution
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.10, pp. 863-864 [ doi:10.1107/97809553602060000899 ]
... team in early 1964 with the specific task of writing a program for calculating the 2Å electron-density map. Fortunately, at ... of London Computing Centre was in the course of acquiring a Ferranti ATLAS computer, which was then one of the most ... was calculated at 1/120ths of the cell edge along a and b, and 1/60ths along c. The output ...
Calculation of phase values
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.9, pp. 862-863 [ doi:10.1107/97809553602060000899 ]
... anomalous-scattering data were examined. For many reflections, they allowed a choice to be made between two apparently equally probable values ... data. This procedure was clearly rather arbitrary and subjective, and a method of combining anomalous scattering with isomorphous replacement in a more rigorous way was described by Blow & Rossmann (1961) ...
Final refinement of heavy-atom parameters
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.8, p. 862 [ doi:10.1107/97809553602060000899 ]
... the R factors and occupancies of the heavy atoms as a function of sin[theta] showed that the heavy-atom compounds ... particularly the uranyl complexes, could not be modelled well by a single atom, but that it was necessary to take into ... first thought was to model the complex in terms of a central U atom, surrounded by a spherical shell of ...
The crystal-type problem
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.7, pp. 861-862 [ doi:10.1107/97809553602060000899 ]
... notice that this phenomenon had been mentioned years earlier in a study of lysozyme (Corey et al., 1952). A preliminary analysis of the differences in the diffraction patterns suggested ... to be more consistent with two discrete diffraction patterns than a continuum of patterns lying between two extremes. The two ...
Further stages of data processing
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.6, pp. 860-861 [ doi:10.1107/97809553602060000899 ]
... by VRS, who had discussed the work with DCP at a meeting in Madras in January 1963 and who joined the ... six reciprocal-lattice levels measured from crystals rotated about the a axis, and the other two comprising the odd and even ... one another, but each had rows in common with the a-axis data. Extraction of the related rows permitted the ...
Absorption corrections
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.5.1, p. 860 [ doi:10.1107/97809553602060000899 ]
... rays by protein crystals is low compared with crystals having a preponderance of heavier atoms, corrections for absorption are required in ... atoms or anomalous dispersion. The mounting of protein crystals within a glass capillary, normally with a small amount of mother liquor between the crystal and ...
Data processing
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.5, pp. 859-860 [ doi:10.1107/97809553602060000899 ]
... tape facilities) resulted in data processing being carried out in a series of stages, each of limited complexity. Input and output ... input being in the form of computer-generated output from a previous stage, starting with the diffractometer output tapes. This approach resulted in a great reduction in manual labour and intervention compared with ...
Diffractometer output
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.4.2, p. 859 [ doi:10.1107/97809553602060000899 ]
... The output from the triple-counter diffractometer again consisted of a plain-language output for immediate checking of the results and ...
Experimental methods
International Tables for Crystallography (2012). Vol. F, Section 25.1.3.4.1, pp. 858-859 [ doi:10.1107/97809553602060000899 ]
... lattice hemisphere with C and positive. Reflections were scanned along A, and the origin of the scanning slide was offset for ... was turned through 90° from this position, the reflection of a light held level with the microscope could often be seen ... the measurement of each triplet of reciprocal-lattice levels as a check on the stability of the whole system and ...
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