MrBUMP progress report. Ronan Keegan & Martyn Winn Daresbury Laboratory. About MrBUMP. M olecular R eplacement with Bu lk M odel P reparation
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Given an initial sequence and the structure factor data it seeks out the best search models for use in Molecular Replacement and tries as many as possible in order to find the best solution.
In simple case the pipeline replicates what crystallographers might do and its value is simply one of convenience.
In more difficult cases, the pipeline aims to discover the particular template structure and model edits required to produce a viable search model and may succeed in finding an efficacious combination that would be missed otherwise.
Izhar Karbat, Michael Turkov, Lior Cohen, Roy Kahn, Dalia Gordon, Michael Gurevitz and Felix Frolow (2007) J. Mol. Biol.366 586-601 (PDB code 2i61).
L.Lehtio et al, to be published (PDB code 2pa9)
M.A. Stead, C.H. Trinh, J.A. Garnett, S.B. Carr, A.J. Baron, T.A. Edwards and S.C. Wright (2007) J. Mol. Biol.373, 820-826 (see Supplementary Data) (PDB code 2q81)
E. Kiyota, S. M. de Sousa, M. L. dos Santos, A. da Costa Lima, M. Menossi, J. A. Yunes and R. Aparicio (2007) Acta CrystF63 990-992
Van Straaten, K.E., Hoffort, A., Palmer, D.R.J., and Sanders, D.A.R., (2008), Acta CrystF64 98-101.
E.K. Millers, Structural investigations of Textilinin-1, a potent serine protease inhibitor from the Australian Brown snake, Pseudonaja textilis and ACII-4, a PLA2 with low phospholipase activity and high anti-coagulant activity, from Mulga, Pseudechis australis (2008) Phd Thesis.