XRD2

Welcome to XRD2 @ 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. XRD2 is the new beamline that has been constructed at section 11.2 and is now operational and accepting proposals. The high photon flux provided by the Super Conducting multipole Wiggler (SCW), installed at the 11.2 section, permits the operation of three beamlines, a central tunable and two fixed energy beamlines (Xpress).

The XRD2 variable energy beamline (8 to 35 keV) is  complementary to XRD1 and dedicated to high throughput macromolecular crystallography (MX) experiments: large tunable energy range for SAD/MAD experiments, automated sample mounting in cryogenic environment and high speed large area detector are some of the important features of this beamline.

The XRD2 project is developed in partnership with the Indian scientific community and administered through Elettra and the Indian Institute of Science (IISc), Bengaluru.

Research Highlights

Studenti @ XRD2 - 2019

Un gruppo di studenti della laurea magistrale in Chimica dell’Università di Parma, sotto la guida del visiting professor prof. Pietro Roversi, ha cristallizzato e ottenuto la struttura di una nuova forma cristallina della proteina PCNA umana. L'esperimento di diffrazione è stato effettuato durante uno stage presso XRD2.

Da: UniPr.it - notizie

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Inhibition of PD-1/PD-L1 protein-protein interaction

Novel PD-1/PD-L1 protein-protein interaction inhibitors were designed and evaluated for activity and mechanism using XRD2 structural data.

(Ref: Basu E. et al, JMedChem, 62(15), 7520-7263 (2019))

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Irreversible Covalent Small Molecule Inhibitors of Cathepsin K

The formation of a covalent linkage between catalytic Cys25 on hCatK and the candidate drug was confirmed by solving the crystal structure of CatK–inhibitor complex on XRD2.

(Ref: Mons E. et al, JACS, 141(8), 3507-3514(2019))

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Novel potent and selective human Carbonic Anhydrase inhibitors

Novel potent human Carbonic Anhydrase (hCA) inhibitors have been designed and structurally characterized on XRD2. The molecules are sulfonamides incorporating piperazine bioisosteres and act as potent and selective inhibitors on hCA I, II, IV or IX isoforms.

(Ref: Chiaramonte N. et al, Bioorganic Chemistry, xxx(x), xxx-xxx(2019))

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Digging into error control during DNA replication

The presence of ribonucleotides (rNTPs) in DNA can lead to genomic instability and cellular lethality. Adventitious rNTP incorporation is prevented during DNA polymerases copy activity through mechanisms that have been better understood using XRD2 structural data.

(Ref:  Johnson M. K. et al, NAR, 47(20), 10693–10705 (2019))

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Combining Raman and XRD to study heme proteins

XRD2 structural data have been used to interpret resonance Raman spectra of neuroglobin mutants, where two protein conformers (with different heme insertion orientations) can be found.

(Ref:  Milazzo, L. et al, FEBS J., xxx(xxx), xxx–xxx (2020))

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Get beamtime! - Monthly MX Proposals

A FAST allocation mechanism – dedicated to Macromolecular Crystallography experiments – is available from your VUO account!
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.

NB: Users from India can find additional information about DST funding on IISc portal.

Proposal Submission - Other cases

It is possible to apply on a six-month basis only if the MX experiment requires a particular setup or if extended time is required for bureaucratic purposes (such as visa applications). For no perishable samples and/or custom setups, the standard six-month based procedure should be followed: deadlines for this submission are September 16th,  (proposals allocated from January 1st to June 30th), and March 15th (proposals allocated in the period July 1st to December 31th).
Experiments that are more suitable for XRD1 setup will be automatically allocated there.

Reference paper