# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-20T12:22:44+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica Section D Biological Crystallography') AND volume = 63 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2019361","41.4764","0.0004","41.4764","0.0004","36.2358","0.0005","90","","90","","120","","53984.7","1","100","0.1","100","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","Gramicidine S","","","- C188 H282 F12 N36 O58 -","- C188 H282 F12 N36 O58 -","- C1692 H2538 F108 N324 O522 -","9","0.5","","Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J.","Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids","Acta Crystallographica Section D Biological Crystallography","2007","63","3","401","407","10.1107/S0907444906056435","","","1.5418","CuKα","","0.1525","0.1461","","","0.3849","0.395","","","","","","1.864","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""