XRD1

Welcome to XRD1 @ Elettra.

X-rays are an invaluable probe of the structure of matter, and the range of problems where X-rays have proved to be decisive in unravelling a material structure is very wide. The X-Ray Diffraction 1 (XRD1) beamline has been designed (in collaboration with the Istituto di Cristallografia - CNR) primarily for macromolecular crystallography, but the characteristics of the beamline permit to perform a wide variety of experiments. The light source is a multipole wiggler with a useful range from 4 to 21 keV. The optics consist in a vertical collimating mirror, a double-crystal Si(111) monochromator followed by a bendable focussing mirror. The multipole wiggler spectrum includes high photon flux at low energies, allowing the optimization of the anomalous signal of several heavy atoms (up to the calcium edge), and offering the enhancement of the Sulphur anomalous signal. The experimental setup consists in a Huber goniometer with k geometry fully controllable from remote. The beamline hosts small molecules, protein crystallography, powder diffraction, high pressure physics and solid-state experiments.

Research Highlights

Chemistry at the protein–mineral interface in L-ferritin assists the assembly of a functional (μ³-oxo)Tris[(μ²-peroxo)] triiron(III) cluster

After 60 min exposure to a ferrous solution, a fully assembled (μ3-oxo)Tris[(μ2-peroxo)(μ2-glutamato-κO:κO′)](glutamato-κO)(diaquo)triiron(III) anionic cluster appears in human L-ferritin.

Pozzi C. et al., Proceedings of the National Academy of Sciences 2017

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Cisplatin Encapsulation within the Ferritin Nanocage: A High-Resolution Crystallographic Study

CDDP-encapsulated AFt appears to be an ideal nanocarrier for CDDP delivery to target sites, as it possesses a high biocompatibility and can be internalized by receptor mediated endocytosis thus carrying the drug to tumor tissue with higher selectivity than free CDDP.

N Pontillo et al., Chem. Commun., 2016

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Extended O-Doped Polycyclic Aromatic Hydrocarbons

a) SEM images of polyaromatic molecular crystals displaying a lamellar-like texture; b) solid-state columnar π-π stacks with an interplanar distance of 3.3Å

Stassen D. et al., Angew. Chem. 2016, 128, 1 – 6

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Crystal structure of the earthworm toxin reveals the mechanism of assembly and its potential application

Crystal structure of the lysenin pore, PDB-ID 5EC5, shown in ribbons, top view. Each of the nine protomoeric units is presented in a different color.

Podobnik M. et al., Nature Communications, 7:11598 (2016)

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Inhomogeneity of charge-density-wave order and quenched disorder in a high-Tc superconductor

The hk diffraction pattern shows that resolution-limited streaks connect the Bragg peaks, owing to the formation of Oi stripes in the HgOy spacer layers.

G.Campi et al., Nature 525, 359–362 (2015)

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Single-Crystal Structure Determination of Hydrogen-bonded Organic Pigments


Chains of hydrogen-bonded molecules (lying on crystallographic [-110] family of planes), π-π stack on top of each other to form a brickwall crystal structure , explaining the favorable charge transport properties.
Glowacki ED et al., Advanced Functional Materials, Vol. 25 - 5, pp. 776-787 (2015)

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Pore flexibility underlies the poor selectivity of CNG channels: a structural, functional and computational analysis.

In contrast with what observed in the rigid potassium channel structures, we saw a significant variation of the pore and the surrounding regions in the presence of different ions, showing that CNG channels are flexible and can accommodate small and large ions with different geometries.
Napolitano LMR et al., Proceedings of the National Academy of Sciences, Vol. 112 - 27, pp. E3619-E3628 (2015)

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Structure of Human NAPE-PLD: Regulation of Bioactive Lipids Biosynthesis by Bile Acids

The secrets of anti-ageing. Longevity and healthy ageing are affected by our diet and lifestyle. EU-funded researchers have associated certain organic compounds called fatty acid ethanolamides (FAEs) with obesity and ageing.
Magotti P et al., Structure 23, 3 (2015)

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Layered metal-functionalized covalent organic frameworks as precursors of supercapacitive porous N-doped graphene

Scheme of the work showing the COF-1 structure, the metal coordination COF-1-M and the calcination process to produce N-doped graphenes. This strategy avoids the need of the use of any additional template, allowing the formation of corrugated graphene in a one-pot reaction from the COF-1–M precursors.
J. Romero. et al., J. Mater. Chem. A, 5, 4343, (2017)

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The mechanism of sliding of the human DNA clamp PCNA

X-ray crystallography: the 2.8 Å crystal structure of the human PCNA homotrimer bound to a 10 bp DNA duplex. A close-up shows the detailed interactions between the DNA phosphates (yellow spheres) and a set of positively charged residues within the PCNA central channel.
De March, M. et al., Nat.Commun. 8, 13935 (2017)

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User Area  

Proposal Submission - Macromolecular Crystallography

A new allocation mechanism – dedicated to macromolecular crystallography experiments – has been introduced for XRD1 starting from May 1st 2011.
The following improvements have been implemented:
- no deadline: it is possible to submit a proposal at any time;
- proposal evaluation on a monthly basis;
- reduced dead-time between proposal submission and allocation;
- automatic re-submission in case of overbooking.
We strongly encourage MX users to take advantage of this new procedure.  It will be still possible to apply on a six-month basis only if the experiment requires a particular setup in order to be performed or  extended time is required for bureaucratic purposes such as visa applications.

Proposal Submission - Other

For experiments different than macromolecular crystallography (no perishable samples and/or particular setup required), the usual six-month based procedure should be followed (look for the User Area in the quick links). The deadlines for proposal submission for beamtime allocation are March 15th, for the period January 1st to June 30th, and September 15th, for the period July 1st to December 31th, at 4:30 pm (MET).

Last Updated on Friday, 24 February 2017 14:27