findMySequence: a neural-network-based approach for identification of unknown proteins in X-ray crystallography and cryo-EM

Chojnowski, G.; Simpkin, A.J.; Leonardo, D.A.; Seifert-Davila, W.; Vivas-Ruiz, D.E.; Keegan, R.M.; Rigden, D.J.

doi:10.1107/S2052252521011088

Figure 6
Consecutive steps of crystal structure determination and sequence identification of a protein with hemolytic activity purified from B. atrox venom. (a) Initial MR solution after 30 REFMAC5 refinement cycles with jelly-body restraints. The same fragment in (b) the ARP/wARP model re-traced without an input sequence and used as an input for findMySequence, and in (c) the final model. The 2F_o − F_c maps are contoured at the 1σ level above the mean. The free atoms used for sparse electron-density map representation in ARP/wARP are shown as grey spheres. Water molecules are shown as red spheres.

IUCrJ

Volume 9| Part 1| January 2022| Pages 86-97

ISSN: 2052-2525

https://doi.org/10.1107/S2052252521011088

CRYO | EM

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