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We then describe a protocol to introduce hydrogen bond restraints into the structure calculation of the SH2 domain from SH2B1 in a systematic and transparent way, and show that the structures generated are more accurate and better defined as a result. We also show that ANSURR can be used as a guide to know when the structure calculation is good enough to stop.<\/jats:p>","DOI":"10.1101\/2022.08.29.505644","type":"posted-content","created":{"date-parts":[[2022,8,30]],"date-time":"2022-08-30T01:35:11Z","timestamp":1661823311000},"source":"Crossref","is-referenced-by-count":0,"title":["Improved methodology for protein NMR structure calculation using hydrogen bond restraints and ANSURR validation: the SH2 domain of SH2B1"],"prefix":"10.64898","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6005-935X","authenticated-orcid":false,"given":"Nicholas J.","family":"Fowler","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marym F.","family":"Albalwi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Subin","family":"Lee","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrea M.","family":"Hounslow","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mike P.","family":"Williamson","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"54368","reference":[{"key":"2022090104000685000_2022.08.29.505644v1.1","doi-asserted-by":"crossref","first-page":"6321","DOI":"10.1038\/s41467-020-20177-1","article-title":"A method for validating the accuracy of NMR protein structures","volume":"11","year":"2020","journal-title":"Nature Comms"},{"key":"2022090104000685000_2022.08.29.505644v1.2","doi-asserted-by":"crossref","first-page":"1430","DOI":"10.1016\/j.str.2021.07.001","article-title":"The accuracy of NMR protein structures in the Protein Data Bank","volume":"29","year":"2021","journal-title":"Structure"},{"key":"2022090104000685000_2022.08.29.505644v1.3","first-page":"1","article-title":"The accuracy of protein structures in solution determined by AlphaFold and NMR","volume":"30","year":"2022","journal-title":"Structure"},{"key":"2022090104000685000_2022.08.29.505644v1.4","unstructured":"Neuhaus, D. ; Williamson, M. 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