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Locating heavy-atom sites
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, ch. 12.2, pp. 327-332 [ doi:10.1107/97809553602060000838 ]
... we must utilize waves with a wavelength in the ångström range, i.e. X-radiation. X-rays interact with electrons and ... of the phases is indicated by the figure of merit m, where A value of 1 for m indicates no phase error, a value of 0.5 represents ...

Space-group problems
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, Section 12.2.5.2, p. 331 [ doi:10.1107/97809553602060000838 ]
... the heavy-atom structure. In the case of human NC1 (Stubbs et al., 1990), all heavy-atom derivatives appeared to lie ... did not lead to a structure solution. References Adman, E. T., Stenkamp, R. E., Sieker, L. C. & Jensen, L. H. (1978 ... 47. Nar, H., Messerschmidt, A., Huber, R., van de Kamp, M. & Canters, G. W. (1991). X-ray crystal structure ...
     [more results from section 12.2.5 in volume F]

Automated search procedures
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, Section 12.2.4.2, p. 330 [ doi:10.1107/97809553602060000838 ]
... determination. J. Appl. Cryst. 31, 270-274. Chang, G. & Lewis, M. (1994). Using genetic algorithms for solving heavy-atom sites. ... 1998). Practical Protein Crystallography. San Diego: Academic Press. Rossmann, M. G., Arnold, E. & Vriend, G. (1986). Comparison of vector ... J. C. Thierry, pp. 115-125. Oxford University Press. Terwilliger, T. C. & Berendzen, J. (1999). Automated MAD and MIR ...
     [more results from section 12.2.4 in volume F]

The difference Fourier
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, Section 12.2.3, p. 329 [ doi:10.1107/97809553602060000838 ]
The difference Fourier 12.2.3. The difference Fourier Once the heavy-atom positions have been found, they can be used to calculate approximate phases and Fourier maps. Ideally, difference Fourier maps calculated with phases from a single site should reveal the other positions determined from the Harker search procedure. This ensures that ...

The Patterson function
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, Section 12.2.2, pp. 328-329 [ doi:10.1107/97809553602060000838 ]
... it is possible to deconvolute the Patterson function. References Buerger, M. J. (1959). Vector Space. New York: Wiley. Harker, D. ... interatomic distances in crystals. Phys. Rev. 46, 372-376. Perutz, M. F. (1956). Isomorphous replacement and phase determination in non ... and Pattersons, edited by J. P. Glusker, B. K. Patterson & M. Rossi. Oxford University Press. Rossmann, M. G. (1960). ...

The origin of the phase problem
Stubbs, M. T. and Huber, R.  International Tables for Crystallography (2012). Vol. F, Section 12.2.1, pp. 327-328 [ doi:10.1107/97809553602060000838 ]
... we must utilize waves with a wavelength in the ångström range, i.e. X-radiation. X-rays interact with electrons and ... N., Karnbrock, W., Steinbacher, S., Humm, A., Prade, L., Neuefeind, T., Moroder, L. & Huber, R. (1997). Bioincorporation of telluromethionine into ... Mol. Biol. 270, 616-623. Green, D. W., Ingram, V. M. & Perutz, M. F. (1954). The structure of haemoglobin ...

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