Il Milione
Il Milione is a suite of computer programs devoted to protein crystal structure determination by X-ray crystallography. The current package also contains Sir2014, the well-known Sir package for the solution and refinement of small molecule single crystal structures.
Il Milione may be used in the following key activities:
Ab initio phasing, via Patterson or Direct Methods
The program may succeed even with structures with up to 6000 non-H atoms in the asymmetric unit, provided that atomic resolution is available, and with data at quasi-atomic resolution (1.4–1.5Å).
MAD/SAD, MIR/SIR, MIRAS/SIRAS techniques
Single or multiple isomorphous replacement, single- or multiple-wavelength anomalous diffraction, and single or multiple isomorphous replacement with anomalous scattering techniques. In the first step the program finds the heavy-atom/anomalous scatterer substructure, then automatically uses the above information to phase protein reflections. Phase extension and refinement are performed by electron density modification techniques (EDM).
Molecular replacement
The orientation and the location of the protein molecules are found via reciprocal space methods. Phase extension and refinement are performed by EDM techniques.
All the programs integrated into Il Milione are controlled by means of a user-friendly graphical user interface, which is used to input data and to monitor intermediate and final results by means of real-time updated messages, diagrams and histograms.
RESEARCH AREA
KEYWORDS
Burla M.C., Caliandro R., Camalli M., Carrozzini B., Cascarano G.L., De Caro L., Giacovazzo C., Polidori G., Siliqi D. and Spagna R.
Il Milione: a suite of computer programs for crystal structure solution of proteins
J. Appl. Crystallog. (2007). 40, 609-613. doi: 10.1107/S0021889807010941
Il Milione was applied and cited in:
Belviso B.D., Galliani A., Lasorsa A. et al. “Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization” (2016) Inorg. Chem., 55, 6563-6573 doi: 10.1021/acs.inorgchem.6b00750
Belviso B.D., Caliandro R., Siliqi D. et al. “Structure of matrix metalloproteinase-3 with a platinum-based inhibitor” (2013) Chem. Commun., 49, 5492-5494 doi: 10.1039/c3cc41278d
Mugnaioli E., Andrusenko I., Schüler T. et al. “Ab Initio structure determination of vaterite by automated electron diffraction” (2012) Angew. Chem. Int. Ed. 51, 7041-7045. doi: 10.1002/anie.201200845.
Arnesano F., Belviso B.D., Caliandro R. et al. “Crystallographic analysis of metal-ion binding to human ubiquitin” (2011) Chemistry, 17, 1569-1578 doi: 10.1002/chem.201001617
Ruggiero A., Chambery A., Di Maro A. et al. “Atomic resolution (1.1 A) structure of the ribosome-inactivating protein PD-L4 from Phytolacca dioica L. leaves” (2008) Proteins, 71, 8-15 doi:10.1002/prot.21712
