Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals
Abstract The increasing availability of ultrabright Light Sources is facilitating the study of smaller crystals at faster timescales but with an increased risk of severe X-ray damage, leading to developments in multi-crystal methods such as serial crystallography (SX). SX studies on crystals with sm...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-11-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-024-01360-7 |
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| author | Sam G. Lewis Ben A. Coulson Anna J. Warren Mark R. Warren Lauren E. Hatcher |
| author_facet | Sam G. Lewis Ben A. Coulson Anna J. Warren Mark R. Warren Lauren E. Hatcher |
| author_sort | Sam G. Lewis |
| collection | DOAJ |
| description | Abstract The increasing availability of ultrabright Light Sources is facilitating the study of smaller crystals at faster timescales but with an increased risk of severe X-ray damage, leading to developments in multi-crystal methods such as serial crystallography (SX). SX studies on crystals with small unit cells are challenging as very few reflections are recorded in a single data image, making it difficult to determine the orientation matrix for each crystal and thus preventing the combination of the data from all crystals for structure solution. We herein present a Small-Rotative Fixed-Target Serial Synchrotron Crystallography (SR-FT-SSX) methodology, in which rotation of the serial target through a small diffraction angle $$(\varphi )$$ ( φ ) at each crystal delivers high-quality data, facilitating ab initio unit cell determination and atomic-scale structure solution. The method is benchmarked using microcrystals of the small-molecule photoswitch sodium nitroprusside dihydrate, obtaining complete data to d min = 0.6 Å by combining just 66 partial datasets selected against rigorous quality criteria. |
| format | Article |
| id | doaj-art-c22c33e869814d45bac7ef59fc954e34 |
| institution | Kabale University |
| issn | 2399-3669 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj-art-c22c33e869814d45bac7ef59fc954e342024-11-17T12:14:12ZengNature PortfolioCommunications Chemistry2399-36692024-11-01711710.1038/s42004-024-01360-7Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystalsSam G. Lewis0Ben A. Coulson1Anna J. Warren2Mark R. Warren3Lauren E. Hatcher4School of Chemistry, Cardiff UniversitySchool of Chemistry, Cardiff UniversityDiamond Light Source, Harwell Science and Innovation CampusDiamond Light Source, Harwell Science and Innovation CampusSchool of Chemistry, Cardiff UniversityAbstract The increasing availability of ultrabright Light Sources is facilitating the study of smaller crystals at faster timescales but with an increased risk of severe X-ray damage, leading to developments in multi-crystal methods such as serial crystallography (SX). SX studies on crystals with small unit cells are challenging as very few reflections are recorded in a single data image, making it difficult to determine the orientation matrix for each crystal and thus preventing the combination of the data from all crystals for structure solution. We herein present a Small-Rotative Fixed-Target Serial Synchrotron Crystallography (SR-FT-SSX) methodology, in which rotation of the serial target through a small diffraction angle $$(\varphi )$$ ( φ ) at each crystal delivers high-quality data, facilitating ab initio unit cell determination and atomic-scale structure solution. The method is benchmarked using microcrystals of the small-molecule photoswitch sodium nitroprusside dihydrate, obtaining complete data to d min = 0.6 Å by combining just 66 partial datasets selected against rigorous quality criteria.https://doi.org/10.1038/s42004-024-01360-7 |
| spellingShingle | Sam G. Lewis Ben A. Coulson Anna J. Warren Mark R. Warren Lauren E. Hatcher Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals Communications Chemistry |
| title | Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals |
| title_full | Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals |
| title_fullStr | Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals |
| title_full_unstemmed | Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals |
| title_short | Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals |
| title_sort | small rotative fixed target serial synchrotron crystallography sr ft ssx for molecular crystals |
| url | https://doi.org/10.1038/s42004-024-01360-7 |
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