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`Multisolution' methods and trial structures
International Tables for Crystallography (2012). Vol. F, Section 16.1.3.2, p. 417 [ doi:10.1107/97809553602060000850 ]
... structure determination requires that sufficient phases be found such that a Fourier map computed using the corresponding structure factors will reveal ... Ab initio phase determination by direct methods requires not only a set of invariants, the average values of the cosines of which are presumed to be known, but also a set of starting phases. Therefore, the third step in ...
[more results from section 16.1.3 in volume F]
Difference intensities and direct methods
International Tables for Crystallography (2012). Vol. F, Section 16.1.2.3, p. 416 [ doi:10.1107/97809553602060000850 ]
... the macromolecular temperature factors incorporated in this process can be a source of error. The temperature-factor correction, often large for ... very sensitive to such errors and will often fail unless a suitable resolution truncation limit is imposed. Usually this is around ... al. (2004) have extended their work on profiles to devise a method of normalization based on profiles, and this should ...
[more results from section 16.1.2 in volume F]
Summary
International Tables for Crystallography (2012). Vol. F, Section 16.1.1.3, pp. 414-415 [ doi:10.1107/97809553602060000850 ]
... by utilizing direct relationships between the crystallographic phases without any a priori structural information. From a historical perspective, the first successful applications of direct methods to ... and unconditional alternation of reciprocal-space phase refinement (`shaking') with a complementary real-space process that seeks to improve phases ...
[more results from section 16.1.1 in volume F]
Conclusions and the grand challenge
International Tables for Crystallography (2012). Vol. F, Section 16.1.13, p. 429 [ doi:10.1107/97809553602060000850 ]
... of the method can be relaxed. There are, of course, a few structures solved ab initio, but they are relatively uncommon. There is a grand challenge here: to solve ab initio macromolecular structures using ... on the recurrence of model fragments that can be predicted a priori from the protein sequence (e.g. small polyalanine [alpha]- ...
International Tables for Crystallography (2012). Vol. F, Section 16.1.3.2, p. 417 [ doi:10.1107/97809553602060000850 ]
... structure determination requires that sufficient phases be found such that a Fourier map computed using the corresponding structure factors will reveal ... Ab initio phase determination by direct methods requires not only a set of invariants, the average values of the cosines of which are presumed to be known, but also a set of starting phases. Therefore, the third step in ...
[more results from section 16.1.3 in volume F]
Difference intensities and direct methods
International Tables for Crystallography (2012). Vol. F, Section 16.1.2.3, p. 416 [ doi:10.1107/97809553602060000850 ]
... the macromolecular temperature factors incorporated in this process can be a source of error. The temperature-factor correction, often large for ... very sensitive to such errors and will often fail unless a suitable resolution truncation limit is imposed. Usually this is around ... al. (2004) have extended their work on profiles to devise a method of normalization based on profiles, and this should ...
[more results from section 16.1.2 in volume F]
Summary
International Tables for Crystallography (2012). Vol. F, Section 16.1.1.3, pp. 414-415 [ doi:10.1107/97809553602060000850 ]
... by utilizing direct relationships between the crystallographic phases without any a priori structural information. From a historical perspective, the first successful applications of direct methods to ... and unconditional alternation of reciprocal-space phase refinement (`shaking') with a complementary real-space process that seeks to improve phases ...
[more results from section 16.1.1 in volume F]
Conclusions and the grand challenge
International Tables for Crystallography (2012). Vol. F, Section 16.1.13, p. 429 [ doi:10.1107/97809553602060000850 ]
... of the method can be relaxed. There are, of course, a few structures solved ab initio, but they are relatively uncommon. There is a grand challenge here: to solve ab initio macromolecular structures using ... on the recurrence of model fragments that can be predicted a priori from the protein sequence (e.g. small polyalanine [alpha]- ...
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