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Acta Cryst. (2009). A65, 456-465 [ doi:10.1107/S0108767309030116 ] On symmetry classes of crystal structuresH. Burzlaff and H. ZimmermannThe paper deals with an open-ended classification scheme for crystal structures based on classes of Wyckoff positions (Wyckoff sets) by special supergroups of the space groups (affine normalizers). These classes are free of metrical and geometrical considerations. The multiplicities of Wyckoff positions used in a structure description are added up and lead to a number of sites for atoms. Wyckoff sets combined with these numbers lead to classes of crystal structures. A symmetry class of crystal structures contains all members of a structure type, example cf. figure. | ![]() The structures of AuCu3 (left) and ReO3 (right) lead to the same symmetry class but represent two different structure types. | |
Acta Cryst. (2009). B65, 664-675 [ doi:10.1107/S0108768109042499 ] Magnetic behaviour of synthetic Co2SiO4A. Sazonov, M. Meven, V. Hutanu, G. Heger, T. Hansen and A. GukasovMany studies have provided abundant data on the olivine-type oxides, especially at or above room temperature and at high pressure, because of the fundamental importance for geologists and mineralogists. However, there is still a lack of information on the magnetic properties below room temperature for such materials. In the present paper, the detailed symmetry analysis of the Co-olivine, Co2SiO4, magnetic structure was performed based on non-polarized and polarized neutron diffraction experiments. | ![]() | |
Acta Cryst. (2009). C65, o521-o524 [ doi:10.1107/S0108270109033083 ] Pseudomerohedrally twinned monoclinic structure of unfolded `free' nonactin: comparative analysis of its large conformational change upon encapsulation of alkali metal ionsI. A. Guzei, C. Wang, Y. Zhan, O. V. Dolomanov and Y.-Q. ChengFormula: C40H64O12 The elusive structure of anhydrous ‘free’ nonactin has been unambiguously established and for the first time its precise bond distances and angles were determined. Nonactin crystallizes in a pseudomerohedrally twinned primitive monoclinic cell with two similarly sized twin components. It possesses an unfolded and more planar geometry than its complexes with encapsulated Na+, K+, Cs+, Ca2+ or NH4+ cations that exhibit more isometric overall conformations. The geometries were analyzed with a new routine that computes the dimensions of the smallest parallelepiped superscribing a molecule. | ![]() | |
Acta Cryst. (2009). D65, 1232-1235 [ doi:10.1107/S0907444909034106 ] Dwelling in the dark: procedures for the crystallography of phytochromes and other photochromic proteinsJ. Mailliet, G. Psakis, C. Schroeder, S. Kaltofen, U. Dürrwang, J. Hughes and L.-O. EssenPhotoreceptor crystals are sensitive to light irradiation and tend to diffract poorly. An efficient and inexpensive method is presented to manipulate photochromic proteins in complete darkness using infrared equipment. The proposed set-up, in combination with the use of appropriate cryo-protection and cryo-annealing, allowed not only the structure solution of the complete sensory domain of a cyanobacterial phytochrome at 2.45 Å resolution, but also the potential to be easily adjusted to accommodate the demands of other light-sensitive proteins. | ![]() Schematic and photographic view of the simple infrared set-up used to observe and freeze phytochrome crystals. | |
Acta Cryst. (2009). E65, o2954-o2955 [ doi:10.1107/S1600536809044651 ] The zwitterion (23'E)-(23R,25S)-23-[1-(oxidoiminio)ethyl]-5 | ![]() The structure of the zwitterionic oxime group as observed in the solid state by XRD. | |
Acta Cryst. (2009). F65, 1200-1203 [ doi:10.1107/S1744309109043772 ] Structure of hypothetical Mo-cofactor biosynthesis protein B (ST2315) from Sulfolobus tokodaiiS. V. Antonyuk, R. W. Strange, M. J. Ellis, Y. Bessho, S. Kuramitsu, A. Shinkai, S. Yokoyama and S. S. HasnainActa Cryst. (2009). F65, 1204-1208 [ doi:10.1107/S1744309109043814 ] Structure of SurE protein from Aquifex aeolicus VF5 at 1.5 Å resolutionS. V. Antonyuk, M. J. Ellis, R. W. Strange, Y. Bessho, S. Kuramitsu, A. Shinkai, S. Yokoyama and S. S. HasnainActa Cryst. (2009). F65, 1209-1213 [ doi:10.1107/S1744309109044935 ] Structure of D-lactate dehydrogenase from Aquifex aeolicus complexed with NAD+ and lactic acid (or pyruvate)S. V. Antonyuk, R. W. Strange, M. J. Ellis, Y. Bessho, S. Kuramitsu, Y. Inoue, S. Yokoyama and S. S. HasnainActa Cryst. (2009). F65, 1214-1217 [ doi:10.1107/S1744309109044923 ] The structure of an archaeal ribose-5-phosphate isomerase from Methanocaldococcus jannaschii (MJ1603)R. W. Strange, S. V. Antonyuk, M. J. Ellis, Y. Bessho, S. Kuramitsu, S. Yokoyama and S. S. HasnainActa Cryst. (2009). F65, 1218-1221 [ doi:10.1107/S1744309109046302 ] Structure of a putative | ![]() Pyridoxal 5′-phosphate (green sticks) bound to the active site of a putative 4-amino-4-deoxychorismate lyase from Thermus thermophilus. | |
J. Appl. Cryst. (2009). 42, 1139-1146 [ doi:10.1107/S0021889809039867 ] Energy-dispersive Laue diffraction by means of a frame-store pnCCDS. Send, M. von Kozierowski, T. Panzner, S. Gorfman, K. Nurdan, A. H. Walenta, U. Pietsch, W. Leitenberger, R. Hartmann and L. StrüderUp to now the Laue diffraction method has been used to determine the symmetry of crystals based on the knowledge of Laue spot positions on a screen. However, crystal structure analyses are not possible due to the unknown energies of the Bragg reflections. The frame-store pnCCD as the first energy-dispersive CCD detector allows a simultaneous spatially and energy-resolved detection of Laue spots. As a demonstration the unit-cell parameters of a -LiAlO2 crystal are determined using a single Laue pattern. | ![]() Laue pattern of -LiAlO2 recorded by means of the frame-store pnCCD after conversion into reciprocal space coordinates. The measured Laue spots (red dots) occupy the reciprocal lattice of -LiAlO2. | |
J. Synchrotron Rad. (2009). 16, 796-802 [ doi:10.1107/S0909049509032889 ] Individual GaAs nanorods imaged by coherent X-ray diffractionA. Biermanns, A. Davydok, H. Paetzelt, A. Diaz, V. Gottschalch, T. H. Metzger and U. PietschCoherent diffraction imaging in combination with a nano-focussed X-ray beam was used to identify both shape and strain state of individual hexagonally shaped GaAs nanorods within a periodic nanorod array. From the 3-dimensional intensity distribution around a Bragg peak in reciprocal space, differences in shape and strain of different nanorods could be resolved using phase-retrieval algorithms. The method is promising for the destruction-free analysis of nanoobjects. | ![]() 3-Dimensional coherent diffraction pattern of a single GaAs nanorod. Size, shape and strain of the individual object (inset) can be derived from the intensity distribution. | |







-lactamase (AmpCD) from an Escherichia coli clinical isolate with a tripeptide deletion (Gly286-Ser287-Asp288) in the H10 helix. Acta Cryst. F65, 540-543. 




3-allyl)4Cl2(OH)2(CO)8: the first cubane-type Mo2+ organometallic complex with
3-OH and
3-Cl bridges. Acta Cryst. C65, m168-m170. 

5-pentamethylcyclopentadienyl)cobalt(II). Acta Cryst. E65, m391. 















4N,N',N'',N'''}bis(trifluoromethanesulfanato-
O)copper(II). Acta Cryst. E64, m1435. 












-2 polymorphs of trans-mono-unsaturated triacylglycerols and related fully saturated triacylglycerols. Acta Cryst. B64, 240-248. 
'-2 polymorphs of trans-mono-unsaturated triacylglycerols and related saturated TAGs and their polymorphic stability. Acta Cryst. B64, 249-259. 









2-hydroxido-bis[dioxouranium(VI)]]-di-
2-2-pyridylacetato-
3O,N:O';
3O:O',N]. Acta Cryst. C64, m50-m52. 















3-1,1-dioxo-1,2-benzoisothiazole-3-thiolato-
3N:S3:S3)silver(I)]. Acta Cryst. C63, m395-m397. 

































2S,S')bismuth(III). Acta Cryst. E62, m2552-m2554. 






5-hydrogenphosphato-pentamolybdate(VI) tetrahydrate. Acta Cryst. C62, m355-m357. 





-GaPO4. Acta Cryst. A62, 1-10. 

















-tetraethoxyborato]. Acta Cryst. C61, m417-m418. 










5-cyclopentadienyl)tungstenio]indium. Acta Cryst. E61, m945-m946. 





-acetato-acetonitriletris(
-N,N'-diphenylformamidinato)diruthenium tetrafluoroborate dichloromethane hemisolvate. Acta Cryst. C61, m71-m73. 















-chloro-bis[dichloropalladium(II)]. Acta Cryst. C60, m426-m430. 

-Diphenylphosphido-
-hydrido-bis[carbonyl(
5-cyclopentadienyl)iron(II)]. Acta Cryst. E60, m1284-m1285. 









-ray and neutron diffraction studies of CoF2: magnetostriction, electron density and magnetic moments. Acta Cryst. A60, 51-57. 


Arg surface mutations on the crystallization of the globular domain of RhoGDI. Acta Cryst. D60, 275-280. 



-AlCrFe phase by electron crystallography. Acta Cryst. A59, 526-539. 




























O)zinc(II). Acta Cryst. C59, m18-m20. 

-
-Stacking and nitro-
-stacking interactions of 1-(4-nitrophenyl)-4-phenyl-2,4-bis(phenylethynyl)butadiene. Acta Cryst. E59, o227-o229. 


-sheet structure formed by C-H
O hydrogen bonds between the thiazole rings and amide bonds of a dimeric desoxazoline ascidiacyclamide analogue. Acta Cryst. E57, o834-o838. 









C-terminal SH2-peptide complex. Acta Cryst. D57, 1397-1404. 





O hydrogen bond in urea-phosphoric acid (1/1). Acta Cryst. B57, 435-439. 



















-galactose and N-acetyllactosamine and a comparative study of carbohydrate binding in Gal/GalNAc-specific legume lectins. Acta Cryst. D55, 1375-1382. 











-oxo-bis[bis(bipyridine-N,N')manganese(III, IV)] Triperchlorate Bis(nitrobenzene) Hemihydrate. Acta Cryst. C54, 1797-1799. 






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