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OVERVIEW

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MX2 experimental station. From left to right: slits, goniometer and detector.

The MX2 beamline is an experimental station dedicated to Macromolecular Crystallography in the hard x-rays energy range (5 to 15 keV) with maximum flux at 8.5 keV. The station is available for conventional single wavelength data collection as well as for Single and Multiple-wavelength Anomalous Diffraction (SAD/MAD) experiments. 

MX2 operates on a 2.0 T hybrid 30-pole wiggler and its optical layout includes collimating mirror, Si(111) double-crystal monochromator and toroidal bendable mirror. The beamline is equipped with PILATUS2M detector from Dectris.

The research projects developed at the MX2 beamline yield precise information about the atomic constitution and shape of macromolecules, such as enzymes and membrane-bound proteins, the building blocks of life inside and outside living cells. This information can lead to a fuller understanding of the biological processes carried by these molecules and by consequence, to the development of new and more efficient medications, cosmetics, biofuels and biomaterials.

Starting from a protein crystal, researchers can obtain information about the three-dimensional shape of the protein, and also run screening studies, where atomic details of small molecules that interact with the protein under study can reveal new avenues for the design of inhibitors. These studies can reveal the detailed mechanisms of the interactions between substrates and enzymes, suggesting improvement or inhibition routes that can guide synthetic or natural products chemists in the development of new commodities.

CONTACT & STAFF


Facility Phone Number: +55 19 3512 1245

Coordination: Ana Carolina de Mattos Zeri
Number: +55 19 3518 2948
E-mail: ana.zeri@lnls.br

 

Click here  for more information on this Facility team.

EXPERIMENTAL TECHNIQUES

The following experimental techniques and setups are available to users in this beamline. To learn more about the techniques’ limitations and requirements (sample, environment, etc.) contact the beamline coordinator before submitting your proposal.

SINGLE AND MULTIPLE-WAVELENGTH ANOMALOUS DIFFRACTION (SAD/MAD)

The station is available for conventional single wavelength data collection as well as for Single and Multiple-wavelength Anomalous Diffraction (SAD/MAD) experiments.

Recent publications using this setup:

  • Structural basis for dimer formation of the CRISPR-associated protein Csm2 of Thermotoga maritima. Gallo, G., Gilles, A., Rangel, G., Zelanis, A., Mori, M. A., Campos, C. B., Wurtele, M. FEBS Journal, v. 283, n. 4, p. 694-703, 2016.
  • Structural analysis of a Dioclea sclerocarpa lectin: Study on the vasorelaxant properties of Dioclea lectins. Barroso- Neto, I. L., Delatorre, P., Teixeira, C. S., Correia, J. L. A., Cajazeiras, J. B., Pereira, R. I., Nascimento, K. S., Laranjeira, E. P. P., Pires, A. F., Assreuy, A. M. S., Rocha, B. A. M., Cavada, B. S.
, International Journal of Biological Macromolecules, v. 82, p. 464- 470, 2016.
  • Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa. Matsuyama, B. Y., Krasteva, P. V., Baraquet, C., Harwood, C. S., Sondermann, H., Navarro, M. V. A. S. Proceedings of the National Academy of Sciences USA, v.113, n. 2, p. E209-E218, 2016.

LAYOUT & OPTICAL ELEMENTS


 

 

ElementTypePosition [m]Description
SOURCEInsertion Device0.00Insertion Device W01A, 2.0 T hybrid 30-pole Wiggler, 22 mm minimal gap
M1Cylindrical Vertical Collimating Mirror11.00Rh coated ULE glass, $ \theta$=4 mrad
MonoDouble Crystal Monochromator14.26Water-cooled Si(111)
M2Toroidal Horizontal and Vertical Focusing Mirror16.00Rh coated silicon, $ \theta$=4 mrad, mechanical bender.

PARAMETERS

ParameterValueCondition
Energy range [keV]5-15Si(111)
Energy resolution [$ \Delta$E/E]$ 10^{-4}$Si(111)
Beam size at sample [$ \mu \rm m^{2}$, FWHM]150 x 500at 8.5 keV
Beam divergence at sample [$ \rm mrad^{2}$, FWHM]3 mradat 8.5 keV
Flux density at sample [ph/s/$ \rm mm^{2}$]$ 10^{11}$at 8.5 keV

INSTRUMENTATION

InstrumentTypeModelSpecificationsManufacturer
DetectorAreaPILATUS2M$ 172 \mu \rm m$ pixel, 1475 x 1679 pixel, 30 kHz frame rateDectris
DiffractometerData collectionMarDTBPhi and theta rotations. Ionizations chambers, slits, shutter and sample holding. Detector translation range 100 to 350 mm.Rayonics
CryostatsNitrogenCryojet XLSample cooling at 100 Kelvin.Oxford
DetectorFluorescenceX-123SDDSi drift diode (SDD). Energy resolution 125 to 140 eV FWHM at 5.9 KeV. Maximum count rate $ 4 \times 10^{6} \rm s^{-1}$. Channels number 8. Communication via EthernetAmptek

CONTROL AND DATA ACQUISITION

The optical controls are done through EPICS (Experimental Physics and Industrial Control System), running on a control system called PXI from National Instruments. The experimental control and data collection with the Pilatus 2M detector (Dectris) are done via a RedHat station running the Python based software MXCube. MXCube is the product of an international collaboration for the creation and development of a graphic interface for molecular crystallography beamlines (Gabadinho, J.et al.,2010, J. Synchrotron Rad. 17, 700-707). A mini-kappa goniometer and a robot for in-plate data collection are currently under commissioning.

There are also two machines with RedHat workstation to access one Virtual Machine with the following software applications available for data treatment: iMOSFLM (v1.0.5); HKL2000* (v0.98.695B); CCP4 PACKAGE; SHELX; HKL2MAP (v0.2); PHENIX (v1.7); CNS; COOT; PYMOL; SHARP.

Additional material concerning those software is linked below:


* The HKL-2000 program package available at the beamline is provided on the basis of scientific collaboration free of charge by the program Authors.

The use of the package should be referenced in publication as follows: Z. Otwinowski and W. Minor “Processing of X-ray Diffraction Data Collected in Oscillation Mode”, Methods in Enzymology, Volume 276: Macromolecular Crystallography, part A, p. 307-326, 1997, C.W. Carter, Jr. and R.M. Sweet, Eds., Academic Press.

Researchers who perform non-commercial research may freely use the program for data evaluation and processing while collecting data at the beamline. Researchers from institutions who want to use the program for data evaluation and processing for commercial purposes while collecting data on LNLS beamlines must have an appropriate HKL-2000 license. The license can be obtained from HKL Research, Inc.  The HKL-2000 package development is supported by the NIH grant GM-53163 to the laboratories of Drs. Zbyszek Otwinowski (Southwester Medical Center at Dallas) and Wladek Minor (University of Virginia).

HOW TO CITE THIS FACILITY

Users are required to acknowledge the use of LNLS facilities in any publications and to inform the Laboratory about any publications, thesis and other published materials. Users must also cooperate by supplying this information upon request. 

Support text for acknowledgements:

This research used resources of the Brazilian Synchrotron Light Laboratory (LNLS), an open national facility operated by the Brazilian Centre for Research in Energy and Materials (CNPEM) for the Brazilian Ministry for Science, Technology, Innovations and Communications (MCTIC). The _ _ _ beamline staff is acknowledged for the assistance during the experiments.

 


 Additionally, in publications related to this facility, please cite the following publication.

GUIMARÃES, B. G.; SANFELICI, L.; NEUENSCHWANDER, R. T.; RODRIGUES, FL.; GRIZOLLI, W. C.; RAULIK, M. A.; PITON, J. R.; MEYER, B. C.; NASCIMENTO, A. S.; POLIKARPOV, I. The MX2 macromolecular crystallography beamline: a wiggler X-ray source at the LNLS. Journal of Synchrotron Radiation, 16: 69-75 (2009). doi:10.1107/S0909049508034870.

The Brazilian Synchrotron Light Laboratory [Laboratório Nacional de Luz Síncrotron (LNLS), Campinas, SP, Brazil] is the first commissioned synchrotron light source in the southern hemisphere. The first wiggler macromolecular crystallography beamline (MX2) at the LNLS has been recently constructed and brought into operation. Here the technical design, experimental set-up, parameters of the beamline and the first experimental results obtained at MX2 are described. The beamline operates on a 2.0 T hybrid 30-pole wiggler, and its optical layout includes collimating mirror, Si(111) double-crystal monochromator and toroidal bendable mirror. The measured flux density at the sample position at 8.7 eV reaches 4.8 x 10^{11} photons s^{-1} mm^{-2} (100 mA)^{-1}. The beamline is equipped with a MarResearch Desktop Beamline Goniostat (MarDTB) and 3 x 3 MarMosaic225 CCD detector, and is controlled by a customized version of the Blu-Ice software. A description of the first X-ray diffraction data sets collected at the MX2 LNLS beamline and used for macromolecular crystal structure solution is also provided.

PUBLICATIONS

Scientific publications produced with data obtained at the facilities of this beamline, and published in journals indexed by the Web of Science, are listed below.

Attention Users: Given the importance of the previous scientific results to the overall proposal evaluation process, users are strongly advised to check and update their publication record both at the SAU Online website and at the CNPEM library database. For the library, updates can be made by sending the full bibliographic data to the CNPEM library (biblioteca@cnpem.br). Publications are included in the database after being checked by the CNPEM librarians and the beamline coordinators.

 


 MX2   SAXS1 

 Cordeiro, R. L.; Pirolla, R. A. S. ; Persinoti, G. F.; Gozzo, F. C.; Giuseppe, P. O.; Murakami, M. T.. N-glycan Utilization by Bifidobacterium Gut Symbionts Involves a Specialist beta-Mannosidase, Journal of Molecular Biology, v. 431n. 4, p. 732-747, 2019. DOI: 10.1016/j.jmb.2018.12.017


 MX2 

 Liberos-Zuniga, G. A. ; Silva, C. dos S.; Ferreira, R. S. ; Dias, M. V. B.. Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by L,D-Transpeptidase 3 (Ldt(Mt3)) from Mycobacterium tuberculosis, ACS Infectious Diseases, v. 5, n. 2, p. 260-271, 2019. DOI: 10.1021/acsinfecdis.8b00244


 MX2 

 Santos, C. A.; Morais, M. A. B.de ; Terrett, O. M. ; Lyczakowski, J. J. ; Zanphorlin, L. M.; Ferreira Filho, J. A.; Tonoli, C. C. C.; Murakami, M. T.; Dupree, P.; Souza, A. P.. An engineered GH1 ss-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials, Scientific Reports, v. 9, p. 4903, 2019. DOI: 10.1038/s41598-019-41300-3


 MX2 

 Corrêa, T. L. R.; Tomazini Jr., A.; Wolf, L. D.; Buckeridge, M. S.; Santos, L. V. dos; Murakami, M. T.. An actinobacteria lytic polysaccharide monooxygenase acts on both cellulose and xylan to boost biomass saccharification, Biotechnology for Biofuels, v. 12, p. 117, 2019. DOI: 10.1186/s13068-019-1449-0


 MX2 

 Costa, D. M. A.; Gómez, S. V.; Araujo, S. S.; Pereira, M. S.; Alves, R. B. ; Favaro, D. C.; Hengge, A. C.; Nagem, R. A. P.; Brandão, T. A. S.. Catalytic mechanism for the conversion of salicylate into catechol by the flavin-dependent monooxygenase salicylate hydroxylase, International Journal of Biological Macromolecules, v. 129, p. 588-600, 2019. DOI: 10.1016/j.ijbiomac.2019.01.135


 MX2 

 Oliveira, J. F.; Prado, P. F. V.; Costa, S. S. da; Sforça, M. L.; Canateli, C.; Ranzani, A. T.; Maschietto, M.; de Oliveira, P. S. L.; Otto, P. A.; Klevit, R. E. ; Krepischi, A. C. V.; Rosenberg, C.; Franchini, K. G.. Mechanistic insights revealed by a UBE2A mutation linked to intellectual disability, Nature Chemical Biology, v. 15, n. 1, p. 62-70, 2019. DOI: 10.1038/s41589-018-0177-2


MORE PUBLICATIONS

PHOTOS


MX2 Estação Experimental/ MX2 Experimental Station



Português:
Estação experimental da linha MX2. Da esquerda para a direita: fendas, goniômetro e detector.

English:
MX2 experimental station. From left to right: slits, goniometer and detector.

MX2: Detalhes / Details



Português:
Detalhe do goniômetro, beam stopper e cryojet da Linha de Luz MX2.

English:
Details of the goniometer, beam stopper at cryojet at the MX2 beamline.

MX2 - Goniômetro e posicionador magnético/ MX2 - Goniometer and magnetic holder



Português:
Goniômetro e posicionador magnetico de amostras (a ser substituído por um posicionador mini-kappa).

English:
Goniometer and magnetic sample holder (to be replaced by a mini-kappa goniometer).

MX2: Estação Experimental / Experimental Station



Português:
Estação experimental da linha MX2 com detector Pilatus2M montado sobre a mesa marDTB.

English:
Experimental station of the MX2 beamline, with Pilatus2M detector mounted over a marDTB bench.

MX2: Detector



Português:
Goniômetro, Cryojet e Detector Pilatus2M na Linha de Luz MX2.

English:
Goniometer, Cryojet and Pilatus2M Detector at the MX2 beamline.

MX2 - Detector Pilatus 2M/ MX2 - Pilatus Detector



Português:
Detector Pilatus 2M e mesa de translação.

English:
Pilatus 2M detector and translation table.

MX2 - Visão do conjunto experimental/ MX2 - View of experimental setup



Português:
Visão do conjunto experimental, da esquerda para a direita: goniometro, Cryojet, braço robotico (em instalação) e detector Pilatus 2M.

English:
View of experimental setup, from left to right: goniometer, Cryojet, robotic arm (under commissioning) and Pilatus 2M detector.

MX2 - Microscópio Ótico/ MX2 - Optical Microscope



Português:
Microscópio ótico para seleção de cristais.

English:
Optical microscope for crystal selection.

MX2: Controle / Control



Português:
Área de controle da estação experimental da Linha de Luz MX2.

English:
Control area of the experimental stations of the MX2 beamline.

MX2: Coleta de Dados / Data Collection



Português:
Interface para coleta de dados na Linha de Luz MX2.

English:
Interface for data collection at the MX2 beamline.