Room temperature structures beyond 1.5 Å by serial femtosecond crystallography | Zendy

Marius Schmidt | Zendy; Kanupriya Pande | Zendy; Shibom Basu | Zendy; Jason Tenboer | Zendy

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Room temperature structures beyond 1.5 Å by serial femtosecond crystallography

Author(s) -

Marius Schmidt,

Kanupriya Pande,

Shibom Basu,

Jason Tenboer

Publication year - 2015

Publication title -

structural dynamics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.415

H-Index - 29

ISSN - 2329-7778

DOI - 10.1063/1.4919903

Subject(s) - femtosecond , resolution (logic) , isotropy , synchrotron , anisotropy , crystallography , hydrogen bond , x ray crystallography , materials science , chemistry , molecular physics , diffraction , optics , physics , molecule , computer science , laser , organic chemistry , artificial intelligence

About 2.5 × 106 snapshots on microcrystals of photoactive yellow protein (PYP) from a recent serial femtosecond crystallographic (SFX) experiment were reanalyzed to maximum resolution. The resolution is pushed to 1.46 Å, and a PYP structural model is refined at that resolution. The result is compared to other PYP models determined at atomic resolution around 1 Å and better at the synchrotron. By comparing subtleties such as individual isotropic temperature factors and hydrogen bond lengths, we were able to assess the quality of the SFX data at that resolution. We also show that the determination of anisotropic temperature factor ellipsoids starts to become feasible with the SFX data at resolutions better than 1.5 Å

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