Structural Biology Beamlines at MAX-lab

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1 Structural Biology Beamlines at MAX-lab The MAX IV Light Source MAX-lab A National Swedish Laboratory for Synchrotron Radiation, Accelerator and Nuclear Physics Research MAX II 1.5 GeV MAX III MeV MAX I MeV LINAC injector

2 MAX IV is a proposal to build a light source of world class performance over a wide wavelength/energy range MAX IV - The process 2000 Linac chosen as the new MAX-lab injector / MAX III 2002 Start of the MAX IV planning Project discussed at the MAX-lab Users Meeting Presented during the VR evaluation of the National Facilities CDR funding from the Wallenberg foundation 2003 Project discussed at the MAX-lab Users Meeting VR funding of a FEL research program 2004 Workshop Our Future Light Source 2005 Lund University requests the City to plan for the location of MAX IV VR defines the evaluation procedure The machine design report is delivered Project discussed at the MAX-lab Users Meeting Funding of further design studies

3 MAX IV - The process (continued) 2006 The scientific case and a proposal for the first phase of beamlines is delivered to VR (Conceptual Design Report CDR) MAX IV - The process (continued) 2006 The scientific case and a proposal for the first phase of beamlines is delivered to VR (Conceptual Design Report CDR) The MAX IV proposal has been evaluated by international committées: 2005 Accelerator and ring design 2006 Scientific case 2008 Report by VR to the Government 2009 Memorandum of Understanding April

4 VR Report Investment cost buildings accelerators, laboratories etc instruments and beam lines Running budget (annual) (excluding electricity) 100 MEuro (960 MSEK) 100 MEuro (950 MSEK) 80 MEuro (730 MSEK) 20 MEuro (185 MSEK) good possibilities for a Nordic and Baltic collaboration

5 Proposed beamlines (CDR) 3.0 GeV ring: Nanofocussing: Microscopy and Spectroscopy Nanofocussing: Diffraction, Imaging and µ-tomography Macromolecular Crystallography: High-throughput Macromolecular Crystallography: Microfocus High Resolution Powder Diffraction and SAXS/ WAXS Microfocus X-ray Spectroscopy Very High Resolution Soft X-ray Spectroscopy (EPU) Magnetism: Spectroscopy and Spectromicroscopy (EPU) Materials Science and Extreme Sample Conditions (wiggler) + relocated beamlines (I811, I911-3) 1.5 GeV ring: Ultra high resolution VUV scattering ( ev) Soft X-ray nano science and spectro microscopy ( ev) Soft X-ray spectroscopy and surface reactions ( ev) Soft X-ray gas phase spectroscopy ( ev) + relocated beamlines (I311, I411, I511, D1011) 0.7 GeV ring: Infrared Microscopy High Resolution Infrared Spectroscopy Ultra High Resolution Normal Incidence Monochromator Angle Resolved Photoemission 3 GeV linac: Ultrafast X-ray Science Large demand for 3.0 GeV ring Lower demand for 1.5 GeV ring October , Scandic Star, Lund, Sweden

6 New / Future beam lines Techniques/ beam lines/ set-ups that where only partly covered in the CDR: A dedicated SAXS beam line A SAXS station focused on micro fluidics Powder diffraction at higher energies & kinetics ~ ms High resolution powder diffraction An environmental science beam line Imaging??? But only 2 free sections left October , Scandic Star, Lund, Sweden The 12 cell design (CDR) Soft X-ray IR Hard X-ray

7 The 20 cell design MAX III Soft X-ray Upgraded MAX II ring IR Hard X-ray A Comparison MAX IV 12- lattice MAX IV 12- lattice MAX IV 20- lattice MAX II original MAX II upgraded MAX II upgraded Energy Circumference Stored current Horizontal emittance (nmrad) Vertical emittance (nmrad) Horizon tal size (Sigma) Vertical size (Sigma) 3.0 GeV 287 m 0.5 A µm 4 µm 1.5 GeV 287 m 0.5 A µm 8 µm 3.0 GeV 530 m 0.5 A µm 2.6 µm 1.5 GeV 90 m 0.3 A (max.) µm 35 µm 1.5 GeV 90 m 0.3 A µm 16 µm 1.0 GeV 90 m 0.5 A µm 8 µm

8 The Short Straight Sections In the proposed 20 cell design there are up to 28 short straight sections available for ~ 1 m long insertion devices. The expected flux estimated by a 24 pole wiggler with a peak field of 1.8 T and a period length of 8 cm. October , Scandic Star, Lund, Sweden Conclusions The 20-cell lattice design will give improved situation for all hard X-ray activities (smaller emittance & source size, longer sections, more space) More straight sections more possible beamlines Short straight sections for less demanding applications The upgraded MAX II will offer very compatible performance in the soft X-ray regime October , Scandic Star, Lund, Sweden

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10 3.0 GeV 1.5 GeV 2008

11 2012 Experimental hall ready GeV ring commissioning

12 2014 Beamline commissioning Move of MAX II 2015

13 2010 Beamline specification Importance of synchrotron radiation for MX Synchrotron radiation improves resolution limits Highly intense beams with low divergence allow the study of smaller samples and larger complexes Difficult targets (e.g. membrane proteins) may give only microcrystals Tuneable synchrotron radiation is essential for solving the phase problem using anomalous scattering High-throughput methods require intense radiation 10 µm crystals Typical anomalous edge

14 What are the needs for MX beamlines? New structures (anomalous signals) Large molecules and complexes (unit cells ~ 2000 Å) Small crystals (< 10 µm) High-throughput (many data sets, right data sets!) Characterising the molecule in-situ (UV/vis, XAS) Functional studies (kinetic crystallography) Forum for European Structural Proteomics Research Infrastructures in Structural Proteomics: Assessment of Requirements for Synchrotron Radiation in Macromolecular Crystallography Report November 2007 Synchrotron radiation sources are large-scale infrastructures that are crucial for the success and competitiveness of European structural biology. crystallographic beam lines presently available together with the additional synchrotrons in Europe either under construction (PETRA & ALBA) or in the planning phase (MAX IV) should satisfy the expected increase in demand for synchrotron radiation over the next decade.

15 Forum for European Structural Proteomics Research Infrastructures in Structural Proteomics: Assessment of Requirements for Synchrotron Radiation in Macromolecular Crystallography Report November 2007 While individual data collection times are decreasing due to more intense beams, faster detectors, better data collection software and sample changers, the overall time spent to find the optimal specimen is increasing. The focus on biologically challenging samples (large protein complexes, membrane proteins), often results in difficult crystals that need extensive screening before a suitable sample can be identified Importance of MAX IV for the local users Challenging experiments need frequent use of beamtime Development of methods for local users Synergy for new emerging techniques Beamtime (replacing MAX II as other new sources are replacing existing sources)

16 Importance of MAX IV for the local users Challenging experiments need frequent use of beamtime Development of methods for local users Synergy for new emerging techniques Beamtime (replacing MAX II as other new sources are replacing existing sources) Importance of MAX IV for the local users Challenging experiments need frequent use of beamtime Development of methods for local users Synergy for new emerging techniques Beamtime (replacing MAX II as other new sources are replacing existing sources)

17 Importance of MAX IV for the local users Challenging experiments need frequent use of beamtime Development of methods for local users Synergy for new emerging techniques Beamtime (replacing MAX II as other new sources are replacing existing sources) Strong Local Community MX Users Tromsø: Norwegian Structural Biology Centre: Smalås, Hough, Engh Umeå: Sauer, Sauer- Eriksson, Persson, Ekström Uppsala: Knight, Jones, Liljas, Andersson, Unge, Kleywegt, Ståhlberg, Hajdu, Mowbray, Selmer Örebro: Grahn Oulu: Wierenga, Glumoff, Kursula, Ylänne Åbo: Airenne, Salminen, Papageorgiou Helsinki: Goldman, Heikinheimo, Merckel Joensuu: Rouvinen Oslo: Bjørås, Krengel Göteborg: Neutze, Sjölin, Astra Zeneca Lund: Al-Karadaghi, Logan, Thunnissen, Saromics Biostructures Aarhus: Thirup, Andersen, Nissen, Brodersen Copenhagen: Larsen, LoLeggio, Henriksen, Kastrup, Gajhede, Skov, Kristensen, MAX IV Harris, Kadziola, Lo Leggio, Novo Nordisk Bente Vestergaard Stockholm: Divne, Nordlund, Schneider, Lindqvist, Ladenstein, Weigelt (Structural Genomics Consortium), KaroBio

18 MX-1 High Throughput crystallography pmua undulator Macromolecular crystallography beamlines at MAX IV (3 GeV) MX-2 Microfocus cpmua undulator Macromolecular crystallography beamlines at MAX IV (3 GeV) MX-1 Optimized for highthroughput and phasing. Highly parallel beam with an adjustable focus between 20 and 100 µm kev Use well-tried optics, relatively quick and easy to build.

19 Macromolecular crystallography beamlines at MAX IV (3 GeV) MX-2 Microfocus beamline adapted to large unit cell crystals and with phasing capabilities 7-17 kev Adjustable focus down to ~ 20 to 5 µm. Unique parallel beam. Collimators to 1 µm Both stations will have EXAFS capabilities What are the needs for structural biology? MX Are MX-1 and MX-2 correctly defined? Other needs? Are two MX beamlines enough? Should both be microfocus? How much microfocus focus down to 1µm? SAXS Is a dedicated SAXS beamline required? Dedicated Bio-SAXS? Microscopy, imaging, microspectroscopy?

20 What happens to MAX-II Max-II will be operational until MAX-IV beam lines have been commissioned. Then it will move/upgraded/rebuild. Users will use MAX-II for about 5 more years. Present crystallographic beam stations: Cassiopeia. Need to have them working as well as they could. Cassiopeia How to be able to satisfy user demands I911-2 End station will be refurbished I911-3 I911-5 Humidifier control device will be installed Being developed into a BIO-SAXS station

21 I911-4 Bio-SAXS beam line I711 part of the time SAXS beam line. The capacity is too low for user demand. I911-4 is being developed to be a simple straightforward SAXS beam line Humidity Control Device (HC1) Crystal humidity experiments can improve diffraction dramatically

22 Cassiopeia I911-3 at MAX-lab Tunable Å Flux in 0.3 x 0.3 mm ~ 1 x photons/s Kappa diffractometer MarMosaic 225 Click-centring (Automatic centring) Röntec fluorescence detector High background radiation Limited collimation Kappa huge and bulky Phi has too big sphere on confusion Refurbishing I911-3 MD2 going to be delivered March/April 2010

23 Different and two experimental tables change hutch size Sample Changing Robot: Nd to adjust hutch size Acknowledgements MAX IV proposal Nils Mårtensson Accelerators: Mikael Eriksson, Erik Wallén, Sverker Werin and many others Beamlines: Yngve Cerenius, Gunnar Öhrwall and many others MX-1 / MX-2: Derek Logan, Marjolein Thunnissen, Thomas Ursby

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