2014 Tutorials
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Welcome
Four example datasets from the LCLS are described here, with complete instructions for full data processing.
Getting Started
List of Examples
| Dataset | File Paths | Reference & purpose | CXIDB |
| L220 Lysozyme | /reg/d/psdm/cxi/cxi84914/xtc/e60
|
Boutet, 2012 (initial report) Hattne, 2014 (cctbx reprocessing) |
17 |
| Gd-Lysozyme | /reg/d/psdm/cxi/cxi84914/xtc/e239
|
Barends, 2013 (SAD anomalous phasing) | 22 |
| L498 Thermolysin | /reg/d/psdm/cxi/cxi84914/xtc/e157
|
Hattne, 2014 (cctbx processing & weak Zn anomalous signal) | 23 |
| LB67 Thermolysin | /reg/d/psdm/cxi/cxi84914/xtc/e350
|
unpublished (illustrate CSPAD hi/lo gain settings) |
References
- Hattne et al (2014): Accurate Macromolecular Structures Using Minimal Measurements from X-ray Free-electron Lasers. Nature Methods 11, 545-548. Reprint
- Brewster et al (2014): XFEL Detectors and ImageCIF. Computational Crystallography Newsletter 5, 19-24. Reprint
- Tran et al (2014): The Mn4Ca photosynthetic water-oxidation catalyst studied by simultaneous X-ray spectroscopy and crystallography using an X-ray free-electron laser. Phil. Trans. R. Soc. B 369, 20130324. Reprint
- Kern et al (2014): Methods development for diffraction and spectroscopic studies of metalloenzymes at X-ray free electron lasers. Phil. Trans. R. Soc. B 369, 20130590. Reprint
- Parkhurst et al (2014): dxtbx: the diffraction experiment toolbox. J. Appl. Cryst. 47, 1459-1465. Reprint
- Kern et al (2014): Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nature Communications 5, 4371.
- Sawaya et al (2014): Protein crystal structure obtained at 2.9 A resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc Natl Acad Sci USA, epub 18 Aug 2014.
- Waterman et al (2013): The DIALS framework for integration software. CCP4 Newsletter on Protein Crystallography 49, 16-19. Reprint
- Kern et al (2013) Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature. Science 340, 491-495.
- Sauter NK, Hattne J, Grosse-Kunstleve RW, Echols N (2012) New Python-based methods for data processing. Acta Crystallographica Section D: Biological Crystallography D69, 1274-1282. Reprint
- Sierra et al (2012): Nanoflow electrospinning serial femtosecond crystallography. Acta Cryst. D68, 1584-1587. Reprint
- Kern et al (2012) Room temperature femtosecond X-ray diffraction of photosytem II microcrystals. Proc. Natl. Acad. Sci. USA 109, 9721-9726. Reprint