title: Room temperature structures beyond 1.5 Å by serial femtosecond crystallography.
abstract: About 2.5 × 10(6) 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.
authors.affiliation: Physics Department , University of Wisconsin Milwaukee, Milwaukee, Wisconsin 53211, USA.
authors.forename: Marius
authors.initials: M
authors.lastname: Schmidt
authors.affiliation: Physics Department , University of Wisconsin Milwaukee, Milwaukee, Wisconsin 53211, USA.
authors.forename: Kanupriya
authors.initials: K
authors.lastname: Pande
authors.affiliation: Department of Chemistry and Biochemistry , Arizona State University, Tempe, Arizona 85287, USA.
authors.forename: Shibom
authors.initials: S
authors.lastname: Basu
authors.affiliation: Physics Department , University of Wisconsin Milwaukee, Milwaukee, Wisconsin 53211, USA.
authors.forename: Jason
authors.initials: J
authors.lastname: Tenboer