Robert Andritschke

Femtosecond x-ray protein nanocrystallography

X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size. In conventional measurements, the necessary increase in X-ray dose to record data from crystals that are too small leads to extensive damage before a diffraction signal can be recorded. It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their importance in all living cells. Here we present a method for structure determination where single-crystal X-ray diffraction ‘snapshots’ are collected from a fully hydrated stream of nanocrystals using femtosecond pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source. We prove this concept with nanocrystals of photosystem I, one of the largest membrane protein complexes. More than 3,000,000 diffraction patterns were collected in this study, and a three-dimensional data set was assembled from individual photosystem I nanocrystals (∼200 nm to 2 μm in size). We mitigate the problem of radiation damage in crystallography by using pulses briefer than the timescale of most damage processes. This offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage.

Single mimivirus particles intercepted and imaged with an X-ray laser

X-ray lasers offer new capabilities in understanding the structure of biological systems, complex materials and matter under extreme conditions. Very short and extremely bright, coherent X-ray pulses can be used to outrun key damage processes and obtain a single diffraction pattern from a large macromolecule, a virus or a cell before the sample explodes and turns into plasma. The continuous diffraction pattern of non-crystalline objects permits oversampling and direct phase retrieval. Here we show that high-quality diffraction data can be obtained with a single X-ray pulse from a non-crystalline biological sample, a single mimivirus particle, which was injected into the pulsed beam of a hard-X-ray free-electron laser, the Linac Coherent Light Source. Calculations indicate that the energy deposited into the virus by the pulse heated the particle to over 100,000 K after the pulse had left the sample. The reconstructed exit wavefront (image) yielded 32-nm full-period resolution in a single exposure and showed no measurable damage. The reconstruction indicates inhomogeneous arrangement of dense material inside the virion. We expect that significantly higher resolutions will be achieved in such experiments with shorter and brighter photon pulses focused to a smaller area. The resolution in such experiments can be further extended for samples available in multiple identical copies.

eROSITA on SRG

eROSITA (extended ROentgen Survey with an Imaging Telescope Array) is the core instrument on the Russian Spektrum-Roentgen-Gamma (SRG) mission which is scheduled for launch in late 2012. eROSITA is fully approved and funded by the German Space Agency DLR and the Max-Planck-Society. The instrument development is in phase C/D since fall 2009. The design driving science is the detection 100.000 Clusters of Galaxies up to redshift z ~1.3 in order to study the large scale structure in the Universe and test cosmological models, especially Dark Energy. This will be accomplished by an all-sky survey lasting for four years plus a phase of pointed observations. eROSITA consists of seven Wolter-I telescope modules, each equipped with 54 Wolter-I shells having an outer diameter of 360 mm. This would provide an effective area of ~1500 cm2 at 1.5 keV and an on axis PSF HEW of 15 arcsec resulting in an effective angular resolution of 28 - 30 arcsec, averaged over the field of view. In the focus of each mirror module, a fast frame-store pn-CCD provides a field of view of 1° in diameter.

Application of a pnCCD in X-ray diffraction: a three-dimensional X-ray detector

The first application of a pnCCD detector for X-ray scattering experiments using white synchrotron radiation at BESSY II is presented. A Cd arachidate multilayer was investigated in reflection geometry within the energy range 7 keV < E < 35 keV. At fixed angle of incidence the two-dimensional diffraction pattern containing several multilayer Bragg peaks and respective diffuse-resonant Bragg sheets were observed. Since every pixel of the detector is able to determine the energy of every incoming photon with a resolution DeltaE/E approximately 10(-2), a three-dimensional dataset is finally obtained. In order to achieve this energy resolution the detector was operated in the so-called single-photon-counting mode. A full dataset was evaluated taking into account all photons recorded within 10(5) detector frames at a readout rate of 200 Hz. By representing the data in reciprocal-space coordinates, it becomes obvious that this experiment with the pnCCD detector provides the same information as that obtained by combining a large number of monochromatic scattering experiments using conventional area detectors.

The MEGA advanced Compton telescope project

Abstract The goal of the Medium Energy Gamma-ray Astronomy (MEGA) telescope is to improve sensitivity at medium gamma-ray energies (0.4–50 MeV) by at least an order of magnitude over that of COMPTEL. This will be achieved with a new compact design that allows for a very wide field of view, permitting a sensitive all-sky survey and the monitoring of transient and variable sources. The key science objectives for MEGA include the investigation of cosmic high-energy particle accelerators, studies of nucleosynthesis sites using gamma-ray lines, and determination of the large-scale structure of galactic and cosmic diffuse background emission. MEGA records and images gamma-ray events by completely tracking both Compton and pair creation interactions in a tracker of double-sided silicon strip detectors and a calorimeter of CsI crystals able to resolve in three dimensions. We present initial laboratory calibration results from a small prototype MEGA telescope.

Concept study for the next generation medium energy gamma-ray astronomy mission - MEGA

A new telescope for Medium Energy Gamma-Ray Astronomy, MEGA, is being developed for the energy band 0.4 - 50 MeV as a successor to COMPTEL on CGRO. MEGA aims to improve the sensitivity for astronomical sources by at least an order of magnitude with respect to past instruments and will fill a severe sensitivity gap between already scheduled hard-X-ray and high-energy gamma-ray missions. MEGA records and images gamma rays by completely tracking Compton and pair creation events in a stack of double sided Si-strip track detectors surrounded by a pixelated CsI calorimeter. MEGA will have an effective area of ~100 square cm, a large field of view of ~130 degrees, angular resolution of ~2 degrees, and energy resolution of ~8% (all FWHM at ~2 MeV). Key science objectives for MEGA are the investigation of cosmic high-energy accelerators, nucleosynthesis sites with gamma-ray lines, and the mapping of large-scale structures in the Galaxy and beyond. If operated on a zenith pointing satellite MEGA will be an ideal continuous all-sky monitor for transient sources. This paper describes the development of a small scale prototype and the concept of a space mission for MEGA.

CCD detectors for spectroscopy and imaging of x-rays with the eROSITA space telescope

A special type of CCD, the so-called PNCCD, was originally developed for the focal plane camera of the XMMNewton space telescope. After the satellite launch in 1999, the MPI Halbleiterlabor continued the detector development for various ground-based applications. Finally, a new X-ray PNCCD was designed again for a space telescope named eROSITA. The space telescope will be equipped with an array of seven parallel oriented X-ray mirror systems of Wolter-I type and seven cameras, placed in their foci. This instrumentation will permit the exploration of the X-ray universe in the energy band from 0.3 keV up to 10 keV with a time resolution of 50 ms for a full image comprising 384 x 384 pixels. eROSITA will be accommodated on the new Russian Spectrum-RG satellite. The mission was already approved by the responsible German and Russian space agencies. The detector development is focussed to fulfil the scientific specifications for detector performance under the constraints of all the mechanical, power, thermal and radiation hardness issues for space instrumentation. This considers also the recent change of the satellites orbit. The Lagrange point L2 was decided as new destination of the satellite instead of a low-Earth orbit (LEO). We present a detailed description of the detector system and the current development status. The most recent test results are reported here. Essential steps for completion of the seven focal plane detectors until satellite launch in 2012 will be itemized.

Data analysis for characterizing PNCCDS

The Max-Planck-Institute semiconductor lab develops, fabricates, tests, and qualifies pnCCDs for space and ground based applications. pnCCDs are CCDs showing high quantum efficiency up to 20 keV while delivering good spatial and energy resolution. This article describes the algorithms applied to the raw data as recorded by the data acquisition system. The main purpose of the underlying software is to qualify the individual pnCCD by measurements of monoenergetic X-ray lines, from B-K (183 eV) to Mo-Kα (17.5 keV), typically Mn-Kα (5.9 keV) under various conditions (e.g. temperature, readout speed, electrical supply voltages of the detector and electronics). Therefore characteristic parameters are determined individually for each measurement as there are read noise, gains, charge transfer efficiencies, charge splitting between neighboring pixels, energy resolution, and bad pixels while correcting for offsets, gains, charge transfer inefficiencies, non-linearities of the electronics, and while recombining the charges spread over more than one pixel. These figures are used in three ways: Firstly, operating parameters are optimized by comparing individual measurements. Secondly, the individual device is rated by combining the results of all its measurements. Thus devices can be selected for applications such as measurement setups for DESY, FLASH, or the X-ray test facility PANTER. Especially the flight modules for the X-ray astronomy mission eROSITIA will be chosen based on the key figures. Thirdly, improvements gained from detector and electronics design and production modifications are quantified closing the development loop of pnCCDs and their associated electronics.

MEGAlib: simulation and data analysis for low-to-medium-energy gamma-ray telescopes

The Medium-Energy Gamma-ray Astronomy library MEGAlib is an open-source object-oriented software library designed to simulate and analyze data of low-to-medium-energy gamma-ray telescopes, especially Compton telescopes. The library comprises all necessary simulation and data analysis tools including geometry construction, Monte-Carlo simulation, response creation, event reconstruction, image reconstruction, and other high-level data-analysis tools.

CsI calorimeter with 3-D position resolution

Abstract New γ-ray calorimeter have been developed for the MEGA Compton camera. They consist of arrays of small CsI(Tl) scintillator bars read out by Silicon PIN-diodes and low noise, self-triggering frontend electronics. The length of the bars (the thickness of the calorimeter) can be varied for different applications to fit the stopping power needed and the light loss tolerable. In this paper we present calibration results from 2 cm long bars with diodes on one side, and 8 cm long bars with diodes on two opposite sides. Double-sided readout gives 3-D information of interactions which will be used to overcome the limited position resolution in Anger-cameras at high energies. Simpler detection devices like Anger-cameras might finally resolve only the centre of gravity. As events from γ-rays with energies of MeV do extend over several cm, it is a prerequisite for an imaging device to resolve the interaction structure in detail. Combining CsI(Tl) scintillators, Silicon PIN-photodiodes and frontend electronics inside the housing results in a cheap rugged design. While the development in our institute is mainly done for the Compton camera prototype, many other applications are conceivable.