000294153 001__ 294153 000294153 005__ 20250730105900.0 000294153 0247_ $$2doi$$a10.1038/nature16949 000294153 0247_ $$2ISSN$$a0300-8746 000294153 0247_ $$2ISSN$$a1476-4687 000294153 0247_ $$2WOS$$aWOS:000369916700035 000294153 0247_ $$2datacite_doi$$a10.3204/PUBDB-2016-01028 000294153 0247_ $$2pmid$$apmid:26863980 000294153 0247_ $$2altmetric$$aaltmetric:5303179 000294153 0247_ $$2openalex$$aopenalex:W2264985423 000294153 037__ $$aPUBDB-2016-01028 000294153 041__ $$aEnglish 000294153 082__ $$a070 000294153 1001_ $$0P:(DE-H253)PIP1023449$$aAyyer, Kartik$$b0 000294153 245__ $$aMacromolecular diffractive imaging using imperfect crystals 000294153 260__ $$aLondon [u.a.]$$bNature Publ. Group$$c2016 000294153 3367_ $$2DRIVER$$aarticle 000294153 3367_ $$2DataCite$$aOutput Types/Journal article 000294153 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1463052690_23332 000294153 3367_ $$2BibTeX$$aARTICLE 000294153 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000294153 3367_ $$00$$2EndNote$$aJournal Article 000294153 500__ $$a(c) Macmillan Publishers Limited 000294153 520__ $$aThe three-dimensional structures of macromolecules and their complexes are mainly elucidated by X-ray protein crystallography. A major limitation of this method is access to high-quality crystals, which is necessary to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields information of sufficiently high resolution with which to solve the crystal structure. The observation that crystals with reduced unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks suggests that crystallographic resolution for some macromolecules may be limited not by their heterogeneity, but by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern that is equal to the incoherent sum of diffraction from rigid individual molecular complexes aligned along several discrete crystallographic orientations and that, consequently, contains more information than Bragg peaks alone. Although such continuous diffraction patterns have long been observed—and are of interest as a source of information about the dynamics of proteins—they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5 $\mathring{A}$ limit of measurable Bragg peaks, which allows us to phase the pattern directly. Using the molecular envelope conventionally determined at 4.5 $\mathring{A}$ as a constraint, we obtain a static image of the photosystem II dimer at a resolution of 3.5 $\mathring{A}$. This result shows that continuous diffraction can be used to overcome what have long been supposed to be the resolution limits of macromolecular crystallography, using a method that exploits commonly encountered imperfect crystals and enables model-free phasing. 000294153 536__ $$0G:(DE-HGF)POF3-6215$$a6215 - Soft Matter, Health and Life Sciences (POF3-621)$$cPOF3-621$$fPOF III$$x0 000294153 536__ $$0G:(EU-Grant)609920$$aAXSIS - Frontiers in Attosecond X-ray Science: Imaging and Spectroscopy (609920)$$c609920$$fERC-2013-SyG$$x1 000294153 536__ $$0G:(EU-Grant)317079$$aNANOMEM - Membrane Protein Nanocrystallography (317079)$$c317079$$fFP7-PEOPLE-2012-ITN$$x2 000294153 536__ $$0G:(DE-HGF)VH-VI-419$$aVH-VI-419 - Dynamic Pathways in Multidimensional Landscapes (VH-VI-419)$$cVH-VI-419$$x3 000294153 536__ $$0G:(DE-H253)BMBF-05E13GU1$$a05E13GU1 - Entwicklung eines "Serial Femtosecond Crystallography (SFX)"-Messtandes am Europäischen Elektronenlaser XFEL (BMBF-05E13GU1)$$cBMBF-05E13GU1$$x4 000294153 588__ $$aDataset connected to CrossRef 000294153 693__ $$0EXP:(DE-H253)CFEL-Exp-20150101$$5EXP:(DE-H253)CFEL-Exp-20150101$$eExperiments at CFEL$$x0 000294153 693__ $$0EXP:(DE-MLZ)External-20140101$$5EXP:(DE-MLZ)External-20140101$$eMeasurement at external facility$$x1 000294153 7001_ $$0P:(DE-H253)PIP1006155$$aYefanov, Oleksandr$$b1 000294153 7001_ $$0P:(DE-H253)PIP1012087$$aOberthür, Dominik$$b2 000294153 7001_ $$0P:(DE-H253)PIP1026857$$aRoy-Chowdhury, Shatabdi$$b3 000294153 7001_ $$0P:(DE-H253)PIP1013871$$aGalli, Lorenzo$$b4 000294153 7001_ $$0P:(DE-H253)PIP1021498$$aMariani, Valerio$$b5 000294153 7001_ $$0P:(DE-HGF)0$$aBasu, Shibom$$b6 000294153 7001_ $$0P:(DE-HGF)0$$aCoe, Jesse$$b7 000294153 7001_ $$0P:(DE-HGF)0$$aConrad, Chelsie E.$$b8 000294153 7001_ $$0P:(DE-H253)PIP1026130$$aFromme, Raimund$$b9 000294153 7001_ $$0P:(DE-HGF)0$$aSchaffer, Alexander$$b10 000294153 7001_ $$0P:(DE-H253)PIP1024566$$aDörner, Katerina$$b11 000294153 7001_ $$0P:(DE-HGF)0$$aJames, Daniel$$b12 000294153 7001_ $$0P:(DE-HGF)0$$aKupitz, Christopher$$b13 000294153 7001_ $$0P:(DE-H253)PIP1019892$$aMetz, Markus$$b14 000294153 7001_ $$0P:(DE-HGF)0$$aNelson, Garrett$$b15 000294153 7001_ $$0P:(DE-H253)PIP1023244$$aPaulraj, Lourdu Xavier$$b16$$udesy 000294153 7001_ $$0P:(DE-H253)PIP1016189$$aBeyerlein, Kenneth$$b17 000294153 7001_ $$0P:(DE-HGF)0$$aSchmidt, Marius$$b18 000294153 7001_ $$0P:(DE-H253)PIP1024554$$aSarrou, Iosifina$$b19 000294153 7001_ $$0P:(DE-HGF)0$$aSpence, John C. H.$$b20 000294153 7001_ $$0P:(DE-H253)PIP1008265$$aWeierstall, Uwe$$b21 000294153 7001_ $$0P:(DE-H253)PIP1010779$$aWhite, Thomas$$b22 000294153 7001_ $$0P:(DE-HGF)0$$aYang, Jay-How$$b23 000294153 7001_ $$0P:(DE-HGF)0$$aZhao, Yun$$b24 000294153 7001_ $$0P:(DE-H253)PIP1007507$$aLiang, Mengning$$b25 000294153 7001_ $$0P:(DE-H253)PIP1009066$$aAquila, Andrew$$b26 000294153 7001_ $$0P:(DE-HGF)0$$aHunter, Mark S.$$b27 000294153 7001_ $$0P:(DE-HGF)0$$aRobinson, Joseph S.$$b28 000294153 7001_ $$0P:(DE-HGF)0$$aKoglin, Jason E.$$b29 000294153 7001_ $$0P:(DE-H253)PIP1009086$$aBoutet, Sébastien$$b30 000294153 7001_ $$0P:(DE-H253)PIP1023170$$aFromme, Petra$$b31 000294153 7001_ $$0P:(DE-H253)PIP1008245$$aBarty, Anton$$b32 000294153 7001_ $$0P:(DE-H253)PIP1006324$$aChapman, Henry N.$$b33$$eCorresponding author 000294153 773__ $$0PERI:(DE-600)1413423-8$$a10.1038/nature16949$$gVol. 530, no. 7589, p. 202 - 206$$n7589$$p202 - 206$$tNature <London>$$v530$$x0028-0836$$y2016 000294153 8564_ 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