{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,12]],"date-time":"2025-10-12T18:54:07Z","timestamp":1760295247581,"version":"3.32.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"3","license":[{"start":{"date-parts":[[2002,5,29]],"date-time":"2002-05-29T00:00:00Z","timestamp":1022630400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2002,5,29]],"date-time":"2002-05-29T00:00:00Z","timestamp":1022630400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2002,2,8]]},"published-print":{"date-parts":[[2002,6,1]]},"abstract":"<jats:p>L-Valyl-L-phenylalanine has been crystallized as an orthorhombic dihydrate (1) in the shape of needles and as a monoclinic trihydrate (2) with <jats:italic>Z<\/jats:italic> = 16 (<jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>, <jats:italic>Z<\/jats:italic>\u2032 = 8) in the shape of thin plates. Peptide molecules in these two structures occur in three basic conformations, termed <jats:italic>c<\/jats:italic>\n                  <jats:sub>1<\/jats:sub>, <jats:italic>c<\/jats:italic>\n                  <jats:sub>2A<\/jats:sub> and <jats:italic>c<\/jats:italic>\n                  <jats:sub>2B<\/jats:sub>. <jats:italic>c<\/jats:italic>\n                  <jats:sub>2B<\/jats:sub> has not been observed previously for dipeptides. Together with <jats:italic>c<\/jats:italic>\n                  <jats:sub>1<\/jats:sub> it forms a model pair for Type I and Type II \u03b2-turns in protein structures. The crystal packing of (2) is remarkable in that some of the L-Val side chains are exposed to the solvent region of the crystal rather than being located in a hydrophobic layer. The crystal packing thus offers a unique and detailed view of hydrogen-bond cage formation around the hydrophobic groups by the 24 cocrystallized water molecules. The eight \u2014NH_3^+...<jats:sup>\u2212<\/jats:sup>OOC\u2014 contacts in the structure are unusually short and the minimum N...O distance of 2.649\u2005(5)\u2005\u00c5 represents a new extreme limit for this type of hydrogen bond in peptide structures.<\/jats:p>","DOI":"10.1107\/s010876810200277x","type":"journal-article","created":{"date-parts":[[2002,7,27]],"date-time":"2002-07-27T06:06:18Z","timestamp":1027749978000},"page":"512-518","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":12,"special_numbering":"2","title":["\u03b2 Turns, water cage formation and hydrogen bonding in the structures of <scp>L<\/scp>-valyl-<scp>L<\/scp>-phenylalanine"],"prefix":"10.1107","volume":"58","author":[{"given":"Carl Henrik","family":"G\u00f6rbitz","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2002,5,29]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2002\/03\/02\/os0088\/os0088.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2002\/03\/02\/os0088\/os0088.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T13:42:10Z","timestamp":1736516530000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S010876810200277X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2002,5,29]]},"references-count":0,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2002,6]]}},"alternative-id":["S010876810200277X"],"URL":"https:\/\/doi.org\/10.1107\/s010876810200277x","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S010876810200277X\/os0088sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S010876810200277X\/os00881sup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S010876810200277X\/os00882sup3.hkl","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"type":"print","value":"0108-7681"}],"subject":[],"published":{"date-parts":[[2002,5,29]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?os0088","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"26 October 2001","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"8 February 2002","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"29 May 2002","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?os0088"}},{"value":"\u00a9 2002 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}