Computational protocol: A novel route to product specificity in the Suv4-20 family of histone H4K20 methyltransferases

Similar protocols

Protocol publication

[…] Data for the Suv4-20h2(1-246) ternary complex and Suv4-20h1(61-327) binary complex were collected at the Diamond Light Source (Diamond Light Source Ltd, Harwell Science and Innovation Campus, Oxfordshire, UK) on station I02 and IO4-1, respectively. The reflections were indexed using XDS () and reduced/scaled with programs from the CCP4i suite (). The Suv4-20h2(1-246) structure was solved by molecular replacement using the PHASER package () using the coordinates of human Suv4-20H2 from the binary complex with S-adenosyl methionine (SAM) deposited by the Structural Genomic Consortium () as the search model, PDB code 3RQ4 (). Difference maps were used to rebuild and extend the initial model using the Coot molecular graphics package (). Iterative cycles of refinement were carried out using REFMAC (). The C-terminus of molecule B was poorly ordered, and all analysis presented refers to molecule A. The data for Suv4-20h1(61-327) were indexed with the iMOSFLM package () and then solved by molecular replacement using the PHASER package () with the mouse Suv4-20h2 structure as the starting model. The coordinates and structure factors for both structures have been deposited at the PDB with accession codes 4AU7 and 4BUP, respectively. […]

Pipeline specifications

Software tools XDS, Coot, iMosflm
Applications Small-angle scattering, Protein structure analysis
Chemicals S-Adenosylmethionine