Single or dual microfocus X-ray diffractometer for all your crystallography needs

A fast and agile single crystal X-ray diffractometer for small molecule 3D structure analysis

XtaLAB Synergy-S

With your success utmost in our minds, we have developed the XtaLAB Synergy-S X-ray diffractometer for single crystal X-ray diffraction. Using a combination of leading edge components and user-inspired software tied together through a highly parallelized architecture, the XtaLAB Synergy-S produces fast, precise data in an intelligent fashion.

The system is based around the PhotonJet-S series of microfocus X-ray sources that incorporate continuously variable divergence slits. These third generation sources have been designed to maximize X-ray photons at the sample by using a combination of new optics, new, longer life, tubes and an improved alignment system. PhotonJets are available in Cu, Mo or Ag wavelengths in either a single or dual source configuration.

The XtaLAB Synergy-S single crystal X-ray diffractometer comes with kappa goniometer that incorporates fast motor speeds and a unique telescopic two-theta arm to provide total flexibility for your diffraction experiment. The system is also equipped with your choice of HPC X-ray detector, including the HyPix-6000HE, PILATUS3 R 200K, PILATUS3 R 300K or EIGER 1M.

Benefits:

  • Extremely high performance due to bright source, noise-free X-ray detector and fast goniometer speeds
  • Continuously variable divergence slit option lets you resolve reflections from long unit cells.
  • Minimal downtime with longer X-ray tube lifetime - supported by online diagnostics and troubleshooting
  • Compact design to fit in your laboratory
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Features

  • High source flux and increased goniometer speed to allow quicker, more agile experiments
  • Unique telescopic two-theta arm to reach both longer and shorter crystal-to-detector distances
  • Enhanced kappa goniometer design with symmetrical 2θ positioning
  • Improved X-ray optic alignment mechanism for easy maintenance
  • User-inspired cabinet design for improved workflow
  • New electronically controlled brightness of cabinet and crystal lighting

This video shows the XtaLAB Synergy-S single crystal X-ray diffractometer in action. Watch the fast diffractometer race the Rigaku office coffee machine to obtain a the X-ray crystal structure; this system is fast!

If you are unable to view this video, click here to download it (354 MB).


HyPix-6000HE: Hybrid photon counting X-ray detector


hypix
Rigaku Oxford Diffraction now offers the HyPix-6000HE Hybrid Photon Counting (HPC) X-ray detector. Like all HPCs, the HyPix-6000HE offers direct X-ray photon counting, single pixel point spread function and extremely low noise. The HyPix-6000HE HPC offers a small pixel size of 100 microns, which allows you to better resolve reflections for long unit cells as well as improving reflection profile analysis. The HyPix-6000HE has a high frame rate of 100 Hz, as well as a unique Zero Dead Time mode providing the ultimate in error-free shutterless data collection.
    Detector   HyPix-6000HE
    Active area   77.5 mm x 80.0 mm
    Dynamic quantum efficiency (Cu-Kα) > 98%
    Dynamic range 31-bits
    Counting rate per pixel 1 x 10⁶ X-ray photons/sec
    Readout speed 0 ms in ZeroDeadTime mode
    Maximum frame rate 100 Hz
    Point-spread function 1 pixel
    Cooling Air-cooled
    Humidity control Not required
    Pixel size 100 μm x 100 μm


PILATUS3 R 200K: Low maintenance, direct photon counting X-ray detector


pilatus
The PILATUS3 R 200K is a hybrid photon counting (HPC) X-ray detector designed to achieve the best possible data quality for diffraction experiments. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 200K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 200K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC X-ray detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 200K
Active area   83.8 mm x 70.0 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 2 x 10⁶ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Air-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm


PILATUS3 R 300K: Direct photon counting X-ray detector with larger active area


pilatus
The PILATUS3 R 300K is a hybrid photon counting (HPC) X-ray detector that is desirable by labs who desire the benefits offered by PILATUS detectors combined with 4-circle goniometers, but prefer a larger active area. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 300K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 300K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC X-ray detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 300K
Active area   83.8 mm x 106.5 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 1 x 10⁷ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Water-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm

XtaLAB Synergy accessories

Description
XtalCheck

The XtalCheck system includes software that facilitates both visual and diffraction imaging of crystallization experiments. With the XtalCheck system, one can easily survey many crystallization experiments by eliminating the need to harvest and cryo-cool samples. Moreover, one can perform serial crystallography experiments, by collecting data from multiple crystals, to achieve complete data sets that can be used for structure solution.

XtalCheck
Oxford Cryo 800

The Oxford Cryostream Cooler: The 800 Series Cryostream is the most robust, efficient and user-friendly liquid nitrogen based low temperature system available today. Specific features include a superior laminar flow system, meaning virtually zero risk of icing, extremely quiet running and a fast-start system resulting in a cool-down time to 100K of just 20 minutes.

Oxford Cryo 800

CrysAlisPro v40

Now with full 64 bit compatibility!

Rigaku Oxford Diffraction single crystal X-ray diffractometers come complete with CrysAlisPro, our user-inspired data collection and data processing software for small molecule and protein crystallography. Designed around an easy-to-use graphical user interface, CrysAlisPro can be operated under fully automatic, semi-automatic or manual control.

CrysAlisPro logo

The latest release, CrysAlisPro v.40, is now fully 64 bit compatible and ready for the future. As modern diffractometers increase in performance and speed, your experiments generate bigger and bigger images and datasets. Additionally, supporting large detectors with very high pixel counts, such as those more commonly found at synchrotrons, requires large amounts of memory. Moving to 64 bit gives applications access to more memory, enabling the handling of these very large image sizes and data sets.

Expanded support for older Rigaku instrumentation and third party hardware is also in this release.

See below for other new software features that have recently been introduced.

How to get CrysAlisPro

The software is freely available for users of Rigaku Oxford Diffraction single crystal X-ray instruments and can be downloaded from our forum. Please register at http://www.rigakuxrayforum.com. Any queries related to the software may be answered on the forum.

CrysAlisPro: Seamless from start to finish

CrysAlisPro combines automated crystal screening, the fastest and most accurate strategy software available, concurrent data reduction and automatic small molecule structure solution. Visual feedback is provided for each step with clear, color-coded guidance so that both novices and experts can collect high-quality data in the shortest time possible.

CrysAlisPro is built on a command line interface and the GUI retains full manual control options for those that want them. It is your choice how to analyse your data.

CrysAlisPro processes data using sophisticated algorithms to provide the highest quality data. As technology or approaches change, our software team incorporates these to further advance data analysis and processing.

CrysAlisPro screen
Processing of challenging and non-standard data collections

CrysAlisPro Ewald3D

CrysAlisPro contains a comprehensive and highly effective range of tools for tackling a wide range of samples from easy to challenging, and non-standard crystal samples. For example, EwaldExplorer and Ewald 3D (NEW!) easily identify effects, problems or artifacts in difficult or problematic datasets.

Ewald3D allows visualization of measured reciprocal space in 3-dimensions and in an undistorted way. Identifying diffuse scatter, modulation, subtle twinning, or incorrect instrument models is quick and easy with this brand new feature.

Supporting a range of crystallographic setups and applications

In addition to standard data collection routines, CrysAlisPro contains tools for working with non-standard experimental setups and sample types, including:

  • High pressure data collections
  • Variable temperature and multi-wavelength experiments
  • Powder experiments (data collection and processing)
  • Automatic screening or full data collections of several in situ protein crystals
  • Highly absorbing samples
  • Up to 8-fold twinned samples
  • Charge density measurements
  • Absolute structure determination
Software Compatibility

Exporting frames or data from CrysAlisPro into suitable alternative formats such as mosFLM, XDS, Denzo (HKL 2000) or another Esperanto format is easily achieved. Use CrysAlisPro’s data collection strategy to achieve the best data coverage in the quickest possible time and then automatically output into HKLF format for small molecule datasets or into the MTZ format for protein datasets.

CrysAlisPro is used by numerous research groups to process their synchrotron data. Our software is capable of importing data from several different detector types; known or unknown.


AutoChem

AutoChem is the ultimate productivity tool for small molecule chemists, offering fast, fully automatic structure solution and refinement during data collection. Developed in collaboration with OlexSys Ltd (Durham University, UK), AutoChem works in conjunction with Olex2 where more advanced structure solution and refinement functionality exists. AutoChem is seamlessly integrated within CrysAlisPro, and forms an integral part of our ‘What is this?’ feature.

The ‘What is this?’ feature gives you structures in seconds and ensures you are not wasting time collecting full datasets on known samples or starting materials. It is an alternative pre-experiment option, which is used to plan your full data collections.

CrysAlisPro flow

Papers published using the XtaLAB Synergy-S in High Impact Journals

  1. Gropp C, Husch T, Trapp N, Reiher M, Diederich F. “Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.” J. Am. Chem. Soc. (2017) 139 (35): 12190-12200 http://pubs.acs.org/doi/pdf/10.1021/jacs.7b05461
  2. Diederich F, Trapp N, Wörle M. “Small Molecule Crystallography in the Laboratory of Organic Chemistry at ETH Zürich.” Israel Journal of Chemistry (2017) 57 (1-2): 39-54. http://onlinelibrary.wiley.com/doi/10.1002/ijch.201600030/full
  3. Riwar L-J, Trapp N, Kuhn B, Diederich F. “Substituent Effects in Parallel-Displaced π–π Stacking Interactions: Distance Matters.” Angew. Chem. Int. Ed. (2017) 56 (37): 11252-11257. http://onlinelibrary.wiley.com/wol1/doi/10.1002/anie.201703744/full
  4. Phukkaphan N, Cruickshank D L, Murray K S, Phonsri W, Harding P, Harding D. J. “Hysteretic spin crossover driven by anion conformational change.” Chem. Comm. (2017) 53: 9801-9804. http://pubs.rsc.org/en/content/articlelanding/2017/cc/c7cc05998a#!divAbs...
  5. Hao W, Wu X, Sun J Z, Siu J C, MacMillan S, Lin S. “Radical Redox-Relay Catalysis: Formal [3+2] Cycloaddition of N-Acylaziridines and Alkenes.” J. Am. Chem. Soc. (2017) 139 (35): 12141-12144. http://pubs.acs.org/doi/abs/10.1021/jacs.7b06723
  6. Urgiles J, Nathan S R, MacMillan S N, Wilson J J. “Dinuclear nitrido-bridged ruthenium complexes bearing diimine ligands.” Dalton Trans. (2017) 46: 14256-14263. http://pubs.rsc.org/en/content/articlelanding/2017/dt/c7dt03085a#!divAbs...
  7. Sarkar K, Dastidar P. “Supramolecular hydrogel derived from a C3-symmetric boronic acid derivative for stimuli-responsive release of insulin and doxorubicin.” Langmuir (2018) 34(2): 685-692. http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.7b03326)
  8. Nievergelt P P, Babor M, Čejka J, Spingler B. “A high-throughput screening method for the nano-crystallization of salts of organic cations.” Chem. Sci., (2018) 9: 3716-3722 http://pubs.rsc.org/en/content/articlepdf/2018/sc/c8sc00783g. An additional news article is available at https://phys.org/news/2018-03-method-medication.html
  9. Junker A K, Hill L R, Thompson A L, Faulkner S, Sørensen T J. “Shining light on the antenna chromophore in lanthanide based dyes.” Dalton Trans., (2018) 47: 4794-4803 http://dx.doi.org/10.1039/C7DT04788F
  10. Ye K-Y, Pombar G, Fu N, Sauer G S, Keresztes I, Lin S. “Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.” J. Am. Chem. Soc. (2018) 140(7): 2438-2441 https://pubs.acs.org/doi/10.1021/jacs.7b13387
  11. Hao W, Harenberg J H, Wu X, MacMilan S N, Lin S. “Diastereo- and Entatioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed radical Redox Relay” J. Am. Chem. Soc. (2018) 140(10): 3514-3517 https://pubs.acs.org/doi/10.1021/jacs.7b13710
  12. Haberland S, Finke A D, Kerisit N, Katan C, Trolez Y, Gawel P, Leito I, Lõkov M, Järviste R, Kaupmees K, Trapp N, Ruhlmann L, Boudon C, Himmel D, Diederich F. “Enhancement of Push-Pull Properties of Pentafulvene and Pentafulvene Derivatives by Protonation at Carbon.” Eur J. Org. Chem., (2018) 6:739-749 https://onlinelibrary.wiley.com/doi/abs/10.1002/ejoc.201800039
  13. Milić J, Zalibera M, Talaat D, Nomrowski J, Trapp N, Ruhlmann L, Boudon C, Wenger O S, Savitsky A, Lubitz W, Diederich F. “Photoredox-Switchable Resorcin[4]arene Cavitands: Radical Control of Molecular Gripping Machinery via Hydrogen Bonding.” Chemistry: A European Journal, (2017) 24(6): 1431-1440 https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201704788
  14. Molčanov K, Mou Z, Kertesz M, Kojić-Prodić B, Stalke D, Demeshko S, Šantić A, Stilinović. “Two-electron / multicenter – pancake bonding in π-stacked trimers in a salt of tetrachloroquinone anion.” Chemistry: A European Journal, (2018) 24(33): 8292-8297 https://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.201800672
  15. Vaccarello D N, O’Connor K S, Iacono P, Rose J M, Cherian A E, Coates G W. “Synthesis of Semicrystalline Plyolefin Materials: Precision Methyl Branching via Stereoretentive Chain Walking.” J. Am. Chem. Soc. (2018) 140(20): 6208-6211 https://pubs.acs.org/doi/10.1021/jacs.8b02963
  16. Cundari T R, Jacobs B P, MacMillan S N, Wolczanski P T. “Dispersion forces play a role in (Me2IPr)Fe(=NAd)R2 (Ad = adamantly; R=neoPe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs)” Dalton Transactions (2018) 47: 6025-6030 http://pubs.rsc.org/en/Content/ArticleLanding/2018/DT/C7DT04145D#!divAbs...
  17. Akondi S M, Gangireddy P, Pickel T C, Liebeskind L S. “Aerobic, Diselenide-Catalyzed Redox Dehydration: Amides and Peptides.” Org. Lett. (2018) 20: 538-541 https://pubs.acs.org/doi/10.1021/acs.orglett.7b03620
  18. Scholl K, Dillashaw J, Timpy E, Lam Y, DeRatt L, Benton T R, Powell J P, Houk K N Morgan J M. “Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation.” J. Org Chem. (2018) 83: 5756-5765 https://pubs.acs.org/doi/abs/10.1021/acs.joc.8b00938
  19. Morgan M T, Yang B, Harankhedkar S, Nabatilan A, Bourassa D, McCallum A M, Sun F, Wu R, Forest C R, Fahrni C J. “Stabilization of aliphatic phosphines by auxillary phosphine sulfides offers zeptomolar affinity and unprecedented selectivity for probing biological Cu(II).” Angew. Chem (2018) 130(31): 9859-9863 https://onlinelibrary.wiley.com/doi/abs/10.1002/ange.201804072
  20. Wu Y, Halat D M, Wei F, Binford T, Seymour I D, Gaultois M W, Shaker S, Wang J, Grey C P, Cheetham A K. “Mixed X-site formate-hypophosphite hybrid perovskites.” Chemistry: A European Journal (2018) just accepted 19 June https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201803061
  21. Su Y, Su H-F, Wang Z, Li Y, Schein S, Zhao Q, Wang X, Tung C-H, Sun D. “Three Silver Nests Capped by Thiolate/Phenylphosphonate.” Chemistry:A European Journal (2018) just accepted 17 July 2018 https://onlinelibrary.wiley.com/doi/abs/10.1002/chem.201803203
  22. Movassaghi S, Leung E, Hanif M, Lee B Y T, Holtkamp H U, Tu J K Y, Söhnel T, Jamieson S M F, Hartinger C G. “A Bioactive L-Phenylalanine-Derived Arene in Miltitargeted Organoruthenium Compounds: Impact on the Antiproliferative Activity and Mode of Action” Inorg. Chem (2018) 57(14) 8521-8529 https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.8b01187
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