1207:
1600:
1612:
164:
262:. Because the alum crystals were largely isomorphous when the heavy atoms were changed out, they could be phased by isomorphous replacement. Fourier analysis was used to find the heavy atom positions.
537:
Green, D. W.; Ingram, Vernon Martin; Perutz, Max
Ferdinand; Bragg, William Lawrence (1954-09-14). "The structure of haemoglobin - IV. Sign determination by the isomorphous replacement method".
1216:
1477:
1472:
1012:
1528:
202:, and others. An early demonstration of isomorphous replacement in crystallography came in 1927 with a paper reporting the x-ray crystal structures of a series of
174:
173:(MIR), which uses at least two isomorphous derivatives. Single isomorphous replacement is possible, but gives an ambiguious result with two possible phases;
686:(now merged into PHENIX) – Terwilliger, T.C. and J. Berendzen. (1999) "Automated MAD and MIR structure solution". Acta Crystallographica D55, 849-861.
756:
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586:"Maximum-likelihood heavy-atom parameter refinement for multiple isomorphous replacement and multiwavelength anomalous diffraction methods"
32:
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39:
with the heavy atom. The addition of the heavy atom (or ion) to the structure should not affect the crystal formation or
806:
50:
Data sets from the native and heavy-atom derivative of the sample are first collected. Then the interpretation of the
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The first demonstration of isomorphous replacement in protein crystallography was in 1954 with a paper from
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31:. For protein crystals this method is conducted by soaking the crystal of a sample to be analyzed with a
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is required to resolve the ambiguity. There are also forms that also take into account the
627:
Bella J, Rossmann MG (1998). "A General
Phasing Algorithm for Multiple MAD and MIR Data".
408:
8:
1246:
1234:
1109:
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539:
Proceedings of the Royal
Society of London. Series A. Mathematical and Physical Sciences
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484:"X-ray analysis and application of fourier series methods to molecular structures"
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The London, Edinburgh, and Dublin
Philosophical Magazine and Journal of Science
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460:
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515:
468:
447:
Cork, J.M. (October 1927). "LX. The crystal structure of some of the alums".
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330:
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270:
195:
194:
Early demonstrations of isomorphous replacement in crystallography come from
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20:
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1007:
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reveals the heavy atom's location in the unit cell. This allows both the
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159:{\displaystyle \mathbf {F} _{ph}=\mathbf {F} _{p}+\mathbf {F} _{h}}
43:
dimensions in comparison to its native form, hence, they should be
694:
1381:
315:
235:
28:
181:
of the soaked heavy atoms, called MIRAS and SIRAS respectively.
304:
1376:
298:
335:
251:
207:
203:
73:) of the crystal is the vector sum of the lone heavy atom (
62:
of the heavy-atom contribution to be determined. Since the
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19:
is historically the most common approach to solving the
189:
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583:
536:
673:— a tutorial with illustrations and references.
110:
290:Some examples of heavy atoms used in protein MIR:
158:
592:. Methods in Enzymology. Vol. 276. pp.
1630:
210:compounds studied had the general formula AB(SO
254:) and S was usually sulfur, but could also be
710:
626:
1547:
409:"Dictionary of common terms used in PHENIX"
717:
703:
222:O, where A was a monovalent metallic ion (
690:
481:
363:
376:Single-wavelength anomalous diffraction
1631:
820:
370:Multi-wavelength anomalous diffraction
281:Multiple isomorphous replacement (MIR)
698:
590:Macromolecular Crystallography Part A
584:de la Fortelle E, Bricogne G (1997).
101:vectors can be solved geometrically.
1611:
951:Phase transformation crystallography
677:
482:Robertson, J Monteath (1937-01-01).
446:
442:
440:
427:"Isomorphous Replacement (SIR, MIR)"
190:Single isomorphous replacement (SIR)
1458:Journal of Chemical Crystallography
724:
242:), B was a trivalent metallic ion (
13:
577:
14:
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664:
437:
1610:
1599:
1598:
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171:multiple isomorphous replacement
146:
131:
113:
87:) then the phase of the native
1400:Bilbao Crystallographic Server
530:
488:Reports on Progress in Physics
475:
419:
401:
184:
66:of the heavy atom derivative (
1:
602:10.1016/S0076-6879(97)76073-7
394:
17:Isomorphous replacement (IR)
7:
1448:Crystal Growth & Design
740:Timeline of crystallography
358:
285:
10:
1655:
1259:Nuclear magnetic resonance
179:anomalous X-ray scattering
80:) and the native crystal (
1594:
1514:
1486:
1463:Journal of Crystal Growth
1438:
1390:
1337:
1284:
1215:
1203:
998:
989:
912:
765:
732:
649:10.1107/s0907444997010469
508:10.1088/0034-4885/4/1/324
461:10.1080/14786441008564371
206:compounds from Cork. The
1329:Single particle analysis
1187:Hermann–Mauguin notation
382:
169:The most common form is
52:Patterson difference map
1453:Crystallography Reviews
1297:Isomorphous replacement
1091:Lomer–Cottrell junction
200:John Monteath Robertson
966:Spinodal decomposition
691:Tutorials and examples
559:10.1098/rspa.1954.0203
338:binds to Cys residues.
160:
1639:X-ray crystallography
1506:Gregori Aminoff Prize
1302:Molecular replacement
364:Anomalous diffraction
161:
25:X-ray crystallography
812:Structure prediction
175:density modification
108:
1076:Cottrell atmosphere
1056:Partial dislocation
800:Restriction theorem
671:phase determination
641:1998AcCrD..54..159B
629:Acta Crystallogr. D
551:1954RSPSA.225..287G
500:1937RPPh....4..332R
1496:Carl Hermann Medal
1307:Molecular dynamics
1154:Defects in diamond
1149:Stone–Wales defect
795:Reciprocal lattice
757:Biocrystallography
156:
37:co-crystallization
1626:
1625:
1590:
1589:
1197:Thermal ellipsoid
1162:
1161:
1071:Frank–Read source
1031:
1030:
897:Aperiodic crystal
863:
862:
745:Crystallographers
678:Computer programs
611:978-0-12-182177-7
545:(1162): 287–307.
413:phenix-online.org
1646:
1614:
1613:
1602:
1601:
1545:
1544:
1468:Kristallografija
1322:Gerchberg–Saxton
1217:Characterisation
1209:
1192:Structure factor
996:
995:
981:Ostwald ripening
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64:structure factor
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1386:
1357:CrystalExplorer
1333:
1317:Phase retrieval
1280:
1211:
1210:
1201:
1158:
1137:Schottky defect
1036:Perfect crystal
1027:
1023:Abnormal growth
985:
971:Supersaturation
934:Miscibility gap
915:
908:
859:
816:
780:Bravais lattice
761:
728:
726:Crystallography
723:
693:
680:
667:
612:
580:
578:Further reading
575:
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531:
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455:(23): 688–698.
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1292:Direct methods
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1177:Ewald's sphere
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1120:Frenkel defect
1117:
1115:Bjerrum defect
1107:
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1095:
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1093:
1088:
1083:
1081:Peierls stress
1078:
1073:
1068:
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1053:
1051:Burgers vector
1043:
1041:Stacking fault
1038:
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1000:Grain boundary
993:
987:
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944:Liquid crystal
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807:Periodic table
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665:External links
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635:(2): 159–174.
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494:(1): 332–367.
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267:David W. Green
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1312:Patterson map
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1182:Friedel's law
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1125:Wigner effect
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1110:Interstitials
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956:Precipitation
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924:Phase diagram
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389:Patterson map
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297:ions bind to
296:
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278:
276:
272:
271:Vernon Ingram
268:
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257:
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197:
196:James M. Cork
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53:
48:
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42:
38:
34:
30:
26:
22:
21:phase problem
18:
1615:
1603:
1548:Associations
1516:Organisation
1296:
1008:Disclination
939:Polymorphism
902:Quasicrystal
845:Orthorhombic
785:Miller index
733:Key concepts
632:
628:
589:
542:
538:
532:
491:
487:
477:
452:
448:
431:my.yetnet.ch
430:
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170:
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95:
88:
81:
74:
67:
49:
35:solution or
16:
15:
1501:Ewald Prize
1269:Diffraction
1247:Diffraction
1230:Diffraction
1172:Bragg plane
1167:Bragg's law
1046:Dislocation
961:Segregation
873:Crystallite
790:Point group
185:Development
27:studies of
1285:Algorithms
1274:Scattering
1252:Scattering
1235:Scattering
1103:Slip bands
1066:Cross slip
916:transition
850:Tetragonal
840:Monoclinic
752:Metallurgy
395:References
351:) bind to
325:groups in
275:Max Perutz
45:isomorphic
33:heavy atom
1392:Databases
855:Triclinic
835:Hexagonal
775:Unit cell
767:Structure
524:250871380
516:0034-4885
469:1941-5982
260:tellurium
56:amplitude
41:unit cell
1633:Category
1605:Category
1440:Journals
1372:OctaDist
1367:JANA2020
1339:Software
1225:Electron
1142:F-center
929:Eutectic
890:Fiveling
885:Twinning
878:Equiaxed
620:27799110
567:96889917
359:See also
323:carboxyl
286:Examples
256:selenium
58:and the
29:proteins
1617:Commons
1565:Germany
1242:Neutron
1132:Vacancy
991:Defects
976:GP-zone
822:Systems
657:9761882
637:Bibcode
594:472–494
547:Bibcode
496:Bibcode
307:salts (
301:groups.
1560:France
1555:Europe
1488:Awards
1018:Growth
868:Growth
655:
618:
608:
565:
522:
514:
467:
305:Uranyl
273:, and
1582:Japan
1529:IOBCr
1382:SHELX
1377:Olex2
1264:X-ray
914:Phase
830:Cubic
684:SOLVE
563:S2CID
520:S2CID
383:Other
378:(SAD)
372:(MAD)
299:thiol
250:, or
238:, or
60:phase
1524:IUCr
1425:ICDD
1420:ICSD
1405:CCDC
1352:Coot
1347:CCP4
1098:Slip
1061:Kink
653:PMID
616:PMID
606:ISBN
512:ISSN
465:ISSN
342:PtCl
336:Lead
329:and
208:alum
204:alum
94:and
1539:DMG
1534:RAS
1430:PDB
1415:COD
1410:CIF
1362:DSR
1086:GND
1013:CSL
645:doi
598:doi
555:doi
543:225
504:doi
457:doi
353:His
349:ion
331:Glu
327:Asp
258:or
224:NH4
218:12H
23:in
1635::
1577:US
1570:UK
651:.
643:.
633:54
631:.
614:.
604:.
596:.
588:.
561:.
553:.
541:.
518:.
510:.
502:.
490:.
486:.
463:.
451:.
439:^
429:.
411:.
316:NO
314:+
309:UO
295:Hg
277:.
269:,
252:Fe
248:Cr
246:,
244:Al
240:Tl
236:Cs
234:,
232:Rb
230:,
226:,
198:,
99:ph
71:ph
47:.
718:e
711:t
704:v
659:.
647::
639::
622:.
600::
569:.
557::
549::
526:.
506::
498::
492:4
471:.
459::
453:4
433:.
415:.
347:(
344:4
318:3
311:2
228:K
220:2
216:2
214:)
212:4
152:h
147:F
142:+
137:p
132:F
127:=
122:h
119:p
114:F
96:F
92:p
89:F
85:p
82:F
78:h
75:F
68:F
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