Restraints on coordinates and ADPs
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.4.2,
pp. 490-490
[ doi:10.1107/97809553602060000858 ]
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Deformation density
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.5.8,
pp. 494-495
[ doi:10.1107/97809553602060000858 ]
S., Morris, R. J.,
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Classical least-squares refinement of small molecules
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.3.1,
pp. 488-488
[ doi:10.1107/97809553602060000858 ]
[
more
results from section 18.4.3 in volume F]
What is `atomic resolution'?
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.1.2,
pp. 486-487
[ doi:10.1107/97809553602060000858 ]
which was developed for small structures and has now been extended to treat macromolecules.
References
Dauter,
Z. (2003). Protein structures at atomic resolution . Methods Enzymol. 368, 288–337. Google Scholar ...
[
more
results from section 18.4.1 in volume F]
Quality assessment of the model
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.6,
pp. 495-495
[ doi:10.1107/97809553602060000858 ]
structures. J. Mol. Biol. 276, 417–436. Google Scholar
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Z. & Wlodawer, A. (2007). Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed ...
Practical strategies
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.8,
pp. 496-496
[ doi:10.1107/97809553602060000858 ]
resolution structures increases, we can expect the refinement and modelling process to be greatly simplified with new software algorithms.
References
Dauter,
Z. (2003). Protein structures at atomic resolution . Methods ...
Anisotropic scaling
Dauter, Z.,
Murshudov, G. N. and
Wilson, K. S.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.4.2.2,
pp. 488-488
[ doi:10.1107/97809553602060000858 ]
[
more
results from section 18.4.2 in volume F]
