for the book of poetry Crystallography book No footnotes date November 2009 File Stohrem.jpg thumb A crystalline ... ones are Ti. Crystallography is the experimental science of the arrangement of atom s in solid s. The word crystallography derives from the Greek language Greek words crystallon cold drop frozen .... Before the development of X ray diffraction crystallography see below , the study of crystals was based ... to hkl . Technique Some materials studied using crystallography, protein s for example, do ... sources. Complementary neutron crystallography techniques are used to enhance hydrogen atoms positions ... only when waves diffract from orderly arrays. Hence crystallography applies for the most part only to crystals ... sample . Crystallography in materials engineering File Fcc lattice 4.JPG 190px thumb An example of a cubic lattice Crystallography is a tool that is often employed by materials scientists. In single ... important role in structural determination. A number of other physical properties are linked to crystallography ... explains why the volume of the iron decreases when this transformation occurs. Crystallography ... to identify which patterns are present in the material, and thus which compounds are present. Crystallography ... crystallography is the primary method for determining the molecular conformations of biological macromolecule ... RasMol or Pymol can be used to visualize biological molecular structures. Neutron crystallography is often ... many light isotopes, including hydrogen and deuterium. Electron crystallography has been used to determine ... group Dynamical theory of diffraction Electron crystallography Euclidean plane isometry Fixed points ... growth Materials science Metallurgy Mineralogy Neutron crystallography NMR crystallography OPAL Neutron ... title Principles of Protein X Ray Crystallography publisher Springer Verlag location New York isbn ..., Zanotti G, and Catti M year 1992 title Fundamentals of Crystallography publisher Oxford University ... University Press & International Union of Crystallography isbn 0 19 855577 6 author Edited by R ... more details
Infobox journal title Crystallography Reviews cover File CoverIssueCrystRev.jpg discipline Crystallography peer reviewed abbreviation Crystallogr. Rev. impact impact year 2009 editor John R. Helliwell website http www.tandf.co.uk journals titles 0889311x.asp link1 http www.informaworld.com smpp title content t713456298 db all link1 name Online access publisher Taylor & Francis country history 1987 present frequency Quarterly formernames ISSN 0889 311X eISSN 1476 3508 CODEN CRRVEN LCCN 87640399 OCLC 50409833 Crystallography Reviews is a peer review peer reviewed scientific journal publishing literature review review articles on all aspects of the science of crystallography . It is published quarterly by the Taylor & Francis . The editor in chief is John R. Helliwell, University of Manchester , UK. Article types Crystallography Reviews publishes three types of reviews Reviews which can be up to 80 pages long , Topical Reviews shorter than the main reviews at about 5000 words , and Book Reviews. Subject coverage Crystallography Reviews covers a wide range of topics fundamentals of crystallography and applications in biology, chemistry, mathematics, physics and mineralogy studies of the structural and X ray crystallography Crystal symmetry.2C unit cell.2C and image scaling symmetry aspects of solids small molecules and macromolecules methodological aspects including crystal growth , instrumentation and diffraction methods and the interface of crystallography with other structure determination methods. Abstracting and indexing Crystallography Reviews is abstracted and indexed in the following databases ref name masterList Cite web title Master Journal search work Coverage publisher Thomson Reuters date url http science.thomsonreuters.com cgi bin jrnlst jlresults.cgi?PC MASTER&ISSN 0889 311X format accessdate 2011 03 13 ref ref name cassi Cite web title Crystallography Reviews ... journals Category Crystallography Category Publications established in 1987 Category Taylor ... more details
Crystallography is a book of poetry and prose published in 1994 and revised in 2003 by Canada Canadian author Christian B k . Based around a pataphysics pataphysical conceit that language is a crystallization process, the book includes several forms of poetry including concrete poetry , as well as pseudohistorical texts, diagrams, charts, and English gematria . An important illustrative feature is the section entitled A Key to Speleological Formations , which compares each letter of the alphabet and punctuation mark to a rock formation, allowing each poem to be read as if it were a landscape feature. Major poems in the book include Geodes and Diamonds . B k explains the title in an introduction. Crystallography refers to both the science of crystallography and a reanalysis of the word s roots crystal meaning clear , and graph meaning writing . tt Inspired by the etymology of the word crystallography, such a work represents an act of lucid writing, which uses the language of geological science to misread the poetics of rhetorical language. Such lucid writing does not concern itself with the transparent transmission of a message so that, ironically, the poetry often seems opaque instead, lucid writing concerns itself with the exploratory examination of its own pattern in a manner reminiscent of lucid dreaming . B k, 2003 tt References B k, Christian. Crystallography . Toronto Coach House Press, 2003 2nd. Ed. . Category 1994 books Category Canadian poetry collections ... more details
unreferenced date October 2009 Cosmic Crystallography is a technique used in physics and astronomy to determine the possible topology of the universe eg. a torus, 3 sphere, etc. . astronomers observe sources of high redshift and look for repeating patterns that may indicate the connection of edges. Pair Separation Histograms Cosmic Crystallographers use Cosmic Separation Histograms to infer characteristics of the universe. Large spikes are expected to appear if the universe is not Simply Connected . Category Cosmology ... more details
Electron crystallography is a method to determine the arrangement of atoms in solids using a transmission electron microscope TEM . Comparison with X ray crystallography It can complement X ray crystallography ..., which only penetrate short distances. One of the main difficulties in X ray crystallography ... crystallography. Aaron Klug was the first to realise that the phase information could be read ... the Nobel Prize for chemistry in 1982. Radiation damage A common problem to X ray crystallography and electron crystallography is radiation damage , by which especially organic molecules and proteins ... troublesome in the setting of electron crystallography, where that radiation damage is focused ... temperatures. Because of this problem, X ray crystallography has been much more successful in determining ... determined by electron crystallography The first electron crystallographic protein structure ... crystallography, including the light harvesting complex , ref PMID 8107845 ref the nicotinic ... waves of potential in the crystal very similar to the electron density measured in X ray crystallography ... crystals by electron crystallography. For simpler structure it is sufficient to use three perpendicular ... books?id mWEB9WpktcUC&printsec frontcover Structural Electron Crystallography , Plenum Publishing ... by special crystallographic methods such as Direct methods crystallography direct methods ... selected area electron diffraction data. journal Acta crystallographica. Section A, Foundations of crystallography .... journal Acta crystallographica. Section A, Foundations of crystallography volume 59 issue Pt 2 pages ... 10.1016 j.ultramic.2005.07.002 ref Crystal structures determined via electron crystallography can be checked .... Section A, Foundations of crystallography volume 59 issue Pt 1 pages 18 21 year 2003 pmid 12496457 ... calculations as a tool for structure validation in electron crystallography. journal Acta crystallographica. Section A, Foundations of crystallography volume 60 issue Pt 1 pages 75 81 year 2004 pmid ... more details
In crystallography crystals are described as isomorphous if they are closely similar in shape. ref cite book last Wells first A.F. title Structural Inorganic Chemistry publisher Oxford University Press date 1984 edition 5th isbn 0198553706 pp 186&ndash 186 in 3rd. edition ref Historically crystal shape was defined by measuring the angles between crystal faces with a goniometer . In modern usage isomorphous crystals belong to the same space group . Double salt Double sulfate s, such as Tutton s salt , with the generic formula M sup I sup sub 2 sub M sup II sup SO sub 4 sub sub 2 sub .6H sub 2 sub O, where M sup I sup is an alkali metal and M sup II sup is a divalent ion of Magnesium Mg , Manganese Mn , Iron Fe , Cobalt Co , Nickel Ni , Copper Cu or Zinc Zn form a series of isomorphous compounds which were important in the nineteenth century in establishing the correct atomic weight s of the transition elements. Alum s, such as KAl SO sub 4 sub sub 2 sub .12H sub 2 sub O, are another series of isomorphous compounds, though there are three series of alums with similar external structures, but slightly different internal structures. Many spinel s are also isomorphous. In order to form isomorphous crystals two substances must have the same chemical formulation, they must contain atoms which have corresponding chemical properties and the sizes of corresponding atoms should be similar. These requirements ensure that the forces within and between molecules and ions are approximately similar and result in crystals that have the same internal structure. Even though the space group is the same, the unit cell dimensions will be slightly different because of the different sizes of the atoms involved. References reflist Category Crystallography condensedmatter stub de Isomorphie Kristall ru ... more details
orphan date March 2009 Racemic crystallography is a recently developed technique of structural biology , which appears capable of producing certain protein crystals. ref Protein Racemate Yields Crystals , Amanda Yarnell, Chemical & Engineering News , 87 , 4, p. 8 ref Development The process was first proposed by UCLA structural biologist Todd Yeates in 1995, who suggested that a racemic mixture of proteins would crystallize more readily than each component alone. The process of mixing proteins made of D amino acids with the more readily available L amino acid containing proteins appears straightforward, but it took a decade to overcome the obstacle that D amino acids cannot be isolated in the laboratory. The obstacle was gradually overcome by laboratories which developed methods of chemically synthesizing D amino proteins. By 2008 the United States National Institute of General Medical Sciences was able to synthesize about 300 such amino acids. ref C&EN p. 8 ref In 2009 the first announcement of successful results in the effort to obtain protein crystals by the racemic method was made by University of Chicago researchers. ref J.Am.Chem.Soc. , DOI, 10.1021 ja8077973 ref They produced crystals of the protein BmBKTx1, which is found in nature in the venom of an Asian scorpion . This protein has successfully resisted efforts at crystallization by other methods. References reflist Category Crystallography Category Neutron related techniques Category Synchrotron related techniques biology stub ... more details
Summary Just a sketch I made of the organization of various topics articles regarding crystallography Licensing GFDL self with disclaimers migration relicense ... more details
The International Union of Crystallography IUCr is a member of the International Council for Science International Council for Science ICSU and exists to serve the world community of crystallographers. It was founded 1948 with the help of Ralph Walter Graystone Wyckoff who served as Vice president and President from 1951 to 1957. ref name RWGW bio Ralph W. G. Wyckoff 1897 1994, Acta Cryst . 1995 . A51, 649 650. Accessed online at http ww1.iucr.org people wyckoff.htm on 3 23 2010 ref See also X ray crystallographyCrystallography Open Access Scholarly Publishers Association , of which IUCr is a member References references External links http www.iucr.org International Union of Crystallography Home Page International Council for Science DEFAULTSORT International Union Of Crystallography Category International nongovernmental organizations Category Scientific organizations Category Learned societies int org stub fr Union internationale de cristallographie it Unione Internazionale di Cristallografia he ... more details
CNS or Crystallography and NMR system , is a software library for computational structural biology. It is an offshoot of X PLOR and uses much of the same syntax. It is used in the fields of X ray crystallography and protein nuclear magnetic resonance spectroscopy NMR analysis. References http cns.csb.yale.edu The program s reference manual hosted at Yale University Category Science software Category Computer libraries ... more details
Cryo bio crystallography is the application of crystallography at cryogenic temperatures. Basic principles Cryo crystallography enables X ray data collection at cryogenic, near liquid nitrogen temperatures also called N2 . Crystals are transferred from mother liquor to a hydrocarbon environment Crystals are mounted with a glass fiber as opposed to a capillary Crystals are cooled with a cold nitrogen stream on a diffraction apparatus to prevent the solvent freezing in the crystals thus maintaining crystallographic integrity. Advantages Significant improvement of resolution in data collection Reduced or eliminated radiation damage in crystals Usefulness and applications Crystallography of large biological macromolecules can be achieved while maintaining their solution state. The most known example is the ribosome . ref cite journal author Hope H title Cryocrystallography of biological macromolecules a generally applicable method journal Acta Crystallogr B. volume 44 issue 1 pages 22 26 year 1988 pmid 3271102 url http www.ncbi.nlm.nih.gov pubmed 3271102 ref References reflist 1 Category Crystallography ... more details
Infobox journal title Journal of Chemical Crystallography cover File CoverIssueJChemCrystallogr.jpg discipline Crystallography abbreviation J. Chem. Crystallogr. impact 0.622 impact year 2009 editor W. T. Pennington website http www.springer.com chemistry organic chemistry journal 10870 link1 http www.springerlink.com openurl.asp?genre issue&issn 1074 1542&issue current link1 name Online access publisher Springer Science Business Media country history 1971 present frequency Monthly formernames ISSN 1074 1542 eISSN 1572 8854 CODEN JCCYEV LCCN 94660681 OCLC 43954962 The Journal of Chemical Crystallography is a peer review peer reviewed scientific journal publishing original research original primary research and literature review review articles on crystallography and spectroscopy . It is published monthly by Springer Science Business Media . The editor in chief of Journal of Chemical Crystallography is W.T. Pennington. According to the Journal Citation Reports , the journal has a 2009 impact factor of 0.622. ref name WoS cite web url http isiwebofknowledge.com title Web of Science year 2010 accessdate 2011 03 12 ref Scope The Journal of Chemical Crystallography covers crystal chemistry and physics and their relation to problems of molecular structure structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X ray, and electron diffraction electron and neutron diffraction and theoretical studies. Abstracting and indexing Journal of Chemical Crystallography is abstracted and indexed in the following databases ref name masterList Cite web title Master Journal search work Coverage publisher Thomson Reuters date url http science.thomsonreuters.com cgi bin jrnlst jlresults.cgi?PC MASTER&ISSN 1074 1542 format accessdate 2011 03 12 ref ref name cassi Cite web title Journal of Chemical Crystallography work Chemical Abstracts Service Source ... journals Category English language journals Category Crystallography Category Publications established ... more details
In crystallography , direct methods are a family of methods for estimating the phases of the Fourier transform of the scattering density from the corresponding magnitudes. The methods generally exploit constraints or statistical correlations between the phases of different Fourier components that result from the fact that the scattering density must be a positive real number. In two dimensions, it is relatively easy to solve the phase problem directly, but not so in three dimensions. The key step was taken by Herbert A. Hauptman Hauptman and Jerome Karle Karle , for which they were awarded the 1985 Nobel prize in Chemistry. At present, direct methods are the preferred method for phasing crystals of small molecules having up to 1000 atoms in the asymmetric unit. However, they are generally not feasible by themselves for larger molecules such as protein s. ref cite journal author Us n I, Sheldrick GM title Advances in direct methods for protein crystallography journal Curr. Opin. Struct. Biol. volume 9 issue 5 pages 643 8 year 1999 pmid 10508770 doi 10.1016 S0959 440X 99 00020 2 ref ref cite journal author Hauptman H title Phasing methods for protein crystallography journal Curr. Opin. Struct. Biol. volume 7 issue 5 pages 672 80 year 1997 pmid 9345626 doi 10.1016 S0959 440X 97 80077 2 ref Several software packages implement direct methods. References reflist chemistry stub Category Crystallography ... more details
Nuclear magnetic resonance crystallography NMR crystallography is a method which utilizes primarily NMR spectroscopy to determine the structure of solid materials on the atomic scale. Thus, Solid state nuclear magnetic resonance solid state NMR spectroscopy would be used primarily, possibly supplemented by List of quantum chemistry and solid state physics software quantum chemistry calculations , powder diffraction ref name harriskdm cite book author Harris KDM, Xu M year 2009 title Combined Analysis of NMR & Powder Diffraction Data publisher Wiley Blackwell isbn 0470699612 ref etc. If suitable crystals can be grown, any crystallography crystallographic method would generally be preferred to determine ... structure molecular structures and molecular packing. The main interest in NMR crystallography is in microcrystalline ... that interactions of comparably short range are measured in NMR crystallography. Introduction When applied to organic compound organic molecules , NMR crystallography aims at including structural information ... title NMR crystallography crystallochemical formula and space group selection journal Solid State ... materials science polymorphism is an area of interest for NMR crystallography since this is encountered ... be investigated by NMR crystallography. ref name harris2006 cite journal author Harris RK year 2006 ... SM year 2008 doi 10.1007 978 1 4020 6823 2 17 title NMR Crystallography and the Elucidation of Structure ... Brouwer DH year 2008 doi title NMR Crystallography of Zeolites Refinement of an NMR Solved Crystal Structure ... in the protein structure calculation. In NMR crystallography the observed spins in case of organic ... by NMR Crystallography from Proton Spin Diffusion journal J. Am. Chem. Soc. volume 128 issue pages ... methods A drawback of NMR crystallography is that the method is typically more time consuming and more expensive due to spectrometer costs and isotope labelling than X ray crystallography, it often ... Crystallography Category Nuclear magnetic resonance Category Scientific techniques Category Solid state ... more details
In crystallography , the R factor sometimes called residual factor or reliability factor or the R value or R sub Work sub is a measure of the agreement between the crystallographic model and the experimental X ray diffraction data. In other words, it is a measure of how well the refined structure predicts the observed data. ref name Morris1992 cite journal author Morris AL, MacArthur MW, Hutchinson EG, Thornton JM title Stereochemical quality of protein structure coordinates journal Proteins volume 12 issue 4 pages 345 64 year 1992 month April pmid 1579569 doi 10.1002 prot.340120407 url ref It is defined by the following equation math R frac sum F obs F calc sum F obs math where F is the so called structure factor and the sum extends over all the reflections measured and their calculated counterparts respectively. The structure factor F is closely related to the intensity of the reflection it describes math I hkl propto F hkl 2 math For large molecules, R factor usually ranges between 0.6 when comparing a random set of reflections with a given model and 0.2 for example for a well refined macro molecular model at a resolution of 2.5 ngstr m . Small molecules up to 300 atoms usually form more ordered crystals than large molecules, it is possible to attain lower R factors. In the Cambridge Structural Database more than 95 of the 500,000 crystals have an R factor lower than 0.15 and 9.5 have an R factor lower than 0.03. Crystallographers also use the Free R Factor math R Free math ref name Brunger1992 cite journal author Brunger AT title Free R value a novel statistical quantity for assessing the accuracy of crystal structures journal Nature volume 355 pages 472 475 year 1992 month January pmid 18481394 doi 10.1038 355472a0 url http www.nature.com nature journal v355 n6359 abs 355472a0.html issue 6359 ref to describe the quality of a model. The quantities math R sym math ... data set. References reflist See also Structure factor Patterson function Category Crystallography ... more details
File Zeolite ZSM 5 3D vdW.png thumb X ray crystallography can locate every atom in a zeolite , an aluminosilicate with many important applications, such as water purification . X ray crystallography is a method ... of these diffracted beams, a crystallography crystallographer can produce a three dimensional picture ... X ray crystallography has been fundamental in the development of many scientific fields. In its ..., drugs, proteins and nucleic acids such as DNA . X ray crystallography is still the chief method ... makeup. X ray crystallography is related to several other methods for determining atomic structures ..., the methods of electron crystallography can be applied for determining the atomic structure ... thumb left As shown by X ray crystallography, the hexagonal symmetry of snowflakes results from the tetrahedron ... by X ray crystallography ref cite journal author Barlow W year 1883 title Probable nature of the internal ... as conclusive. File 3D model hydrogen bonds in water.jpg thumb X ray crystallography shows the arrangement ... top right are identical in chemical composition being both pure carbon X ray crystallography ... the 1915 Nobel Prize in Physics for their work in crystallography. The earliest structures were ... ray crystallography for determining the structure of molecules and minerals then only known vaguely ... to chemistry and material science X ray crystallography has led to a better understanding ... J. Chem. Phys. volume 22 page 989 doi 10.1063 1.1740320 issue 6 ref X ray crystallography or, strictly ... doi 10.1021 ic50153a012 issue 11 ref Finally, X ray crystallography had a pioneering role in the development ... in minerals and metal s. The application of X ray crystallography to mineralogy began with the structure .... The first application of X ray crystallography to metallurgy likewise occurred in the mid ... volume 6 page 5 ref ref cite journal author Caspari WA year 1928 title Crystallography of the Aliphatic ... important in biology, such as heme , corrin and chlorophyll . X ray crystallography of biological molecules ... more details
Time resolved crystallography utilizes X ray crystallography imaging to visualize reactions in four dimensions x, y, z and time . This enables the studies of dynamical changes that occur in for example enzymes during their catalysis. The time dimension is incorporated by triggering the reaction of interest in the crystal prior to X ray exposure, and then collecting the diffraction patterns at different time delays. In order to study these dynamical properties of macromolecule s three criteria must be met ref cite journal pmid 11062553 year 2000 last1 Hajdu first1 J last2 Neutze first2 R last3 Sj gren first3 T last4 Edman first4 K last5 Sz ke first5 A last6 Wilmouth first6 RC last7 Wilmot first7 CM title Analyzing protein functions in four dimensions volume 7 issue 11 pages 1006 12 doi 10.1038 80911 journal Nature structural biology ref The macromolecule must be biologically active in the crystalline state It must be possible to trigger the reaction in the crystal The intermediate of interest must be detectable, i.e. it must have a reasonable amount of concentration in the crystal preferably over 25 . This has led to the development of several techniques that can be divided into two groups, the pump probe method and diffusion trapping methods. Pump probe In the pump probe method the reaction is first triggered pump by photolysis most often laser light and then a diffraction pattern is collected by an X ray pulse probe at a specific time delay. This makes it possible to obtain many images at different time delays after reaction triggering, and thereby building up a chronological series of images describing the events during reaction. To obtain a reasonable signal to noise ratio this pump probe cycle has to be performed many times for each spatial rotation of the crystal, and many times for the same time delay. Therefore the reaction that one wishes to study with pump probe ... probe method. References reflist Category Crystallography ... more details
editor last Lima de Faria editor first J. contribution A brief history of geometrical crystallography series Historical Atlas of Crystallography year 1990 pages 43 59 publisher Kluwer ref During the Eighteenth ... s corpuscular theory of matter by now called the atomic theory and X Ray Diffraction X ray crystallography ... two given crystal nets are isomorphic as graphs not to be confused with Isomorphism crystallography ... http www.cristal.org grinsp Cite web title Commission on Mathematical and Theoretical Crystallography ... RCSR url http rcsr.anu.edu.au DEFAULTSORT Periodic Graph Crystallography Category Crystallography ... more details
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