Room temperature structures beyond 1.5 Å by serial femtosecond crystallography

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 compa...

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Autores principales: Schmidt, Marius, Pande, Kanupriya, Basu, Shibom, Tenboer, Jason
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Crystallographic Association 2015
Materias:
SPECIAL TOPIC: BIOLOGY WITH X-RAY LASERS 2
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4711625/
https://www.ncbi.nlm.nih.gov/pubmed/26798807
http://dx.doi.org/10.1063/1.4919903
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author Schmidt, Marius
Pande, Kanupriya
Basu, Shibom
Tenboer, Jason
author_facet Schmidt, Marius
Pande, Kanupriya
Basu, Shibom
Tenboer, Jason
author_sort Schmidt, Marius
collection PubMed
description 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.
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spelling pubmed-47116252016-01-21 Room temperature structures beyond 1.5 Å by serial femtosecond crystallography Schmidt, Marius Pande, Kanupriya Basu, Shibom Tenboer, Jason Struct Dyn SPECIAL TOPIC: BIOLOGY WITH X-RAY LASERS 2 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. American Crystallographic Association 2015-05-07 /pmc/articles/PMC4711625/ /pubmed/26798807 http://dx.doi.org/10.1063/1.4919903 Text en © 2015 Author(s). 2329-7778/2015/2(4)/041708/9 All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
spellingShingle SPECIAL TOPIC: BIOLOGY WITH X-RAY LASERS 2
Schmidt, Marius
Pande, Kanupriya
Basu, Shibom
Tenboer, Jason
Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title_full Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title_fullStr Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title_full_unstemmed Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title_short Room temperature structures beyond 1.5 Å by serial femtosecond crystallography
title_sort room temperature structures beyond 1.5 å by serial femtosecond crystallography
topic SPECIAL TOPIC: BIOLOGY WITH X-RAY LASERS 2
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4711625/
https://www.ncbi.nlm.nih.gov/pubmed/26798807
http://dx.doi.org/10.1063/1.4919903
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