{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T01:56:12Z","timestamp":1777341372079,"version":"3.51.4"},"reference-count":19,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2014,1,22]],"date-time":"2014-01-22T00:00:00Z","timestamp":1390348800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2014,1,22]],"date-time":"2014-01-22T00:00:00Z","timestamp":1390348800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr F Struct Biol Commun","Acta Crystallogr F","Acta Crystallogr F Struct Biol Cryst Commun","Acta Cryst F","Acta Cryst F Struct Biol Commun","Acta Cryst Sect F","Acta Cryst Sect F Struct Biol Commun","Acta Crystallogr Sect F","Acta Crystallogr Sect F Struct Biol Commun","Acta Crystallogr Sect F Struct Biol Cryst Commun"],"accepted":{"date-parts":[[2014,1,7]]},"published-print":{"date-parts":[[2014,2,1]]},"abstract":"<jats:p>\n                  <jats:italic>Staphylococcus aureus<\/jats:italic> is the causative agent of many diseases, including meningitis, bacteraemia, pneumonia, food poisoning and toxic shock syndrome. Structural characterization of the PaaI-like thioesterase SAV0944 (<jats:italic>Sa<\/jats:italic>PaaI) from <jats:italic>S. aureus<\/jats:italic> subsp. <jats:italic>aureus<\/jats:italic> Mu50 will aid in understanding its potential as a new therapeutic target by knowledge of its molecular details and cellular functions. Here, the recombinant expression, purification and crystallization of <jats:italic>Sa<\/jats:italic>PaaI thioesterase from <jats:italic>S. aureus<\/jats:italic> are reported. This protein initially crystallized with the ligand coenzyme A using the hanging-drop vapour-diffusion technique with condition No. 40 of Crystal Screen from Hampton Research at 296\u2005K. Optimal final conditions consisting of 24% PEG 4000, 100\u2005m<jats:italic>M<\/jats:italic> sodium citrate pH 6.5, 12% 2-propanol gave single diffraction-quality crystals. These crystals diffracted to beyond 2\u2005\u00c5 resolution at the Australian Synchrotron and belonged to space group <jats:italic>P<\/jats:italic>12<jats:sub>1<\/jats:sub>1, with unit-cell parameters <jats:italic>a<\/jats:italic> = 44.05, <jats:italic>b<\/jats:italic> = 89.05, <jats:italic>c<\/jats:italic> = 60.74\u2005\u00c5, \u03b2\u00a0=\u00a0100.5\u00b0. Initial structure determination and refinement gave an <jats:italic>R<\/jats:italic> factor and <jats:italic>R<\/jats:italic>\n                  <jats:sub>free<\/jats:sub> of 17.3 and 22.0%, respectively, confirming a positive solution in obtaining phases using molecular replacement.<\/jats:p>","DOI":"10.1107\/s2053230x14000338","type":"journal-article","created":{"date-parts":[[2014,1,21]],"date-time":"2014-01-21T13:11:44Z","timestamp":1390309904000},"page":"244-247","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Expression, purification, crystallization and preliminary X-ray analysis of the PaaI-like thioesterase SAV0944 from <i>Staphylococcus aureus<\/i>"],"prefix":"10.1107","volume":"70","author":[{"given":"Yogesh B.","family":"Khandokar","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Noelia","family":"Roman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kate M.","family":"Smith","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Parul","family":"Srivastava","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jade K.","family":"Forwood","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2014,1,22]]},"reference":[{"key":"dp5056_bb1","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1107\/S0907444910048675","volume":"67","author":"Battye","year":"2011","journal-title":"Acta Cryst. 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Bacteriol."},{"key":"dp5056_bb13","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1016\/0022-2836(68)90205-2","volume":"33","author":"Matthews","year":"1968","journal-title":"J. Mol. Biol."},{"key":"dp5056_bb14","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1107\/S0021889807021206","volume":"40","author":"McCoy","year":"2007","journal-title":"J. Appl. Cryst."},{"key":"dp5056_bb15","doi-asserted-by":"crossref","first-page":"355","DOI":"10.1107\/S0907444911001314","volume":"67","author":"Murshudov","year":"2011","journal-title":"Acta Cryst. D"},{"key":"dp5056_bb16","first-page":"4","volume":"1","author":"Shorr","year":"2006","journal-title":"ISMR Update"},{"key":"dp5056_bb17","doi-asserted-by":"crossref","first-page":"11028","DOI":"10.1074\/jbc.M513896200","volume":"281","author":"Song","year":"2006","journal-title":"J. Biol. Chem."},{"key":"dp5056_bb18","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/j.pep.2005.01.016","volume":"41","author":"Studier","year":"2005","journal-title":"Protein Expr. Purif."},{"key":"dp5056_bb19","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1107\/S0907444910045749","volume":"67","author":"Winn","year":"2011","journal-title":"Acta Cryst. D"},{"key":"dp5056_bb20","unstructured":"World Health Organization (2013). Initiative for Vaccine Research: Staphylococcal Infection. http:\/\/www.who.int\/vaccine_research\/diseases\/soa_bacterial\/en\/index2.html. Geneva: World Health Organization."}],"container-title":["Acta Crystallographica Section F Structural Biology Communications"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/f\/issues\/2014\/02\/00\/dp5056\/dp5056.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/f\/issues\/2014\/02\/00\/dp5056\/dp5056.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T09:32:17Z","timestamp":1736760737000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053230X14000338"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,1,22]]},"references-count":19,"journal-issue":{"issue":"2","published-online":{"date-parts":[[2014,2]]}},"alternative-id":["S2053230X14000338"],"URL":"https:\/\/doi.org\/10.1107\/s2053230x14000338","relation":{},"ISSN":["2053-230X"],"issn-type":[{"value":"2053-230X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,1,22]]},"assertion":[{"value":"Acta Crystallographica Section F: Structural Biology Communications","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/f"},"group":{"name":"general","label":"General"}},{"value":"crystallization communications","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/f\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?dp5056","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":"23 September 2013","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"7 January 2014","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"22 January 2014","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"\u00a9 2014 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}