{"title":"当 h、k 和 l 不能描述衍射中的所有反射时该怎么办?","authors":"Jessica Bruhn","doi":"10.1107/s2053273323097206","DOIUrl":null,"url":null,"abstract":"Here I will present a recently determined crystal structure of ipragliflozin L - proline, a pharmaceutical drug used for the treatment of type 2 diabetes. Due to the small crystal size, MicroED was used to determine this structure. Initial phasing was carried out in the orthorhombic space group P 212121, but refinement in this space group proved to be challenging. Subsequent reduction in symmetry to P 21 produced a structure that could be refined","PeriodicalId":6903,"journal":{"name":"Acta Crystallographica Section A Foundations and Advances","volume":"118 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"What to do when h, k and l do not describe all the reflections in the diffraction?\",\"authors\":\"Jessica Bruhn\",\"doi\":\"10.1107/s2053273323097206\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Here I will present a recently determined crystal structure of ipragliflozin L - proline, a pharmaceutical drug used for the treatment of type 2 diabetes. Due to the small crystal size, MicroED was used to determine this structure. Initial phasing was carried out in the orthorhombic space group P 212121, but refinement in this space group proved to be challenging. Subsequent reduction in symmetry to P 21 produced a structure that could be refined\",\"PeriodicalId\":6903,\"journal\":{\"name\":\"Acta Crystallographica Section A Foundations and Advances\",\"volume\":\"118 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-07-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section A Foundations and Advances\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/s2053273323097206\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section A Foundations and Advances","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/s2053273323097206","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
在这里,我将介绍最近测定的ipragliflozin L - proline的晶体结构,这是一种用于治疗2型糖尿病的药物。由于晶体尺寸较小,因此使用 MicroED 来确定该结构。最初在正交空间群 P 212121 中进行了分相,但事实证明在该空间群中重新分相具有挑战性。随后将对称性降低到 P21,得到了一种可以重新定型的结构
What to do when h, k and l do not describe all the reflections in the diffraction?
Here I will present a recently determined crystal structure of ipragliflozin L - proline, a pharmaceutical drug used for the treatment of type 2 diabetes. Due to the small crystal size, MicroED was used to determine this structure. Initial phasing was carried out in the orthorhombic space group P 212121, but refinement in this space group proved to be challenging. Subsequent reduction in symmetry to P 21 produced a structure that could be refined