{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,20]],"date-time":"2026-10-20T09:42:39Z","timestamp":1792489359646,"version":"4.5.0"},"reference-count":20,"publisher":"International Union of Crystallography (IUCr)","issue":"10","license":[{"start":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T00:00:00Z","timestamp":1789344000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T00:00:00Z","timestamp":1789344000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"DOI":"10.13039\/100000057","name":"National Institutes of Health, National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["P30 GM124165"],"award-info":[{"award-number":["P30 GM124165"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000057","name":"National Institutes of Health, National Institute of General Medical Sciences","doi-asserted-by":"publisher","award":["S19OD021527"],"award-info":[{"award-number":["S19OD021527"]}],"id":[{"id":"10.13039\/100000057","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-AC02-06CH11357"],"award-info":[{"award-number":["DE-AC02-06CH11357"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr D Struct Biol","Acta Crystallogr D","Acta Cryst D","Acta Cryst D Struct Biol","Acta Cryst Sect D","Acta Cryst Sect D Struct Biol","Acta Crystallogr Sect D","Acta Crystallogr Sect D Struct Biol","Acta Crystallogr D Biol Crystallogr","Acta Cryst D Biol Cryst"],"accepted":{"date-parts":[[2026,7,22]]},"published-print":{"date-parts":[[2026,10,1]]},"abstract":"<jats:p>\n                    Human intrinsic factor (IF) mediates the intestinal uptake of cobalamin (Cbl; vitamin B\n                    <jats:sub>12<\/jats:sub>\n                    ). A previous crystal structure of the IF\u2013cobalamin complex revealed the apparent absence of an upper axial ligand at the cobalt center, raising questions regarding radiation-induced cleavage or chemical modification during crystallization. Here, high-resolution single-crystal X-ray crystallography of cobalamin in three states, oxidized and two independently prepared chemically reduced crystals, resolves clear electron density for an intact axial cyanide ligand at the cobalt center in all cases, including a crystal previously subjected to X-ray exposure during spectroscopic measurement.\n                    <jats:italic>In crystallo<\/jats:italic>\n                    Co\u2005\n                    <jats:italic>K<\/jats:italic>\n                    -edge X-ray absorption near-edge structure (XANES) spectroscopy performed on the same crystals shows a shift in absorption-edge energy compatible with, but not independently diagnostic of, partial chemical reduction, while indicating the retention of six-coordinate cobalt geometry in both states. Correlation of the spectroscopic and crystallographic data shows that radiation-induced photolysis of the Co\u2013CN bond is unlikely to explain the apparent absence of axial electron density previously reported for IF-bound cobalamin. These results establish\n                    <jats:italic>in\u00a0crystallo<\/jats:italic>\n                    XANES as a useful complement to macromolecular crystallography for resolving ambiguities in metalloprotein active-site chemistry, while demonstrating that the crystallographic data alone provide the most direct evidence for ligand retention.\n                  <\/jats:p>","DOI":"10.1107\/s2059798326007539","type":"journal-article","created":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T10:06:42Z","timestamp":1787047602000},"page":"1195-1202","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Single-crystal X-ray and\n                    <i>in crystallo<\/i>\n                    XANES studies resolve cobalt coordination in cobalamin and rule out radiation-induced ligand loss in human intrinsic factor"],"prefix":"10.1107","volume":"82","author":[{"given":"Narayanasami","family":"Sukumar","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05bnh6r87","id-type":"ROR","asserted-by":"publisher"}],"department":["NECAT, Department of Chemistry and Chemical Biology"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David H.","family":"Alpers","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05ap66461","id-type":"ROR","asserted-by":"publisher"}],"department":["Division of Gastroenterology"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1451-5035","authenticated-orcid":true,"given":"George E.","family":"Sterbinsky","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/05gvnxz63","id-type":"ROR","asserted-by":"publisher"}],"department":["X-ray Science Division, Advanced Photon Source"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sahana L.","family":"Sukumar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,9,14]]},"reference":[{"key":"moo5003_bb1","doi-asserted-by":"crossref","first-page":"1948","DOI":"10.1107\/S0907444902016657","volume":"58","author":"Adams","year":"2002","journal-title":"Acta Cryst. 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