2018 Fiscal Year Research-status Report
Database of Molecular Shapes and Diffraction Patterns for X-ray Free Electron Laser Data Analysis
| Project/Area Number |
17K07305
|
|---|
| Research Institution | Nagoya University |
|---|
Principal Investigator |
TAMA FLORENCE 名古屋大学, 理学研究科, 教授 (20648191)
|
|---|
| Project Period (FY) |
2017-04-01 – 2020-03-31
|
| Keywords | 2D images / 3D structure / single molecules / XFEL |
|---|
| Outline of Annual Research Achievements |
Advancements in biophysical experimental techniques have pushed the limits in terms of the types of phenomena that can be characterized, the amount of data that can be produced and the resolution at which we can visualize them. Single particle techniques such as Electron Microscopy (EM) and X-ray free electron laser (XFEL) scattering require a large number of 2D images collected to resolve three-dimensional (3D) structures. An efficient method is proposed to find 3D biological shapes to serve as a starting point for further analyses. In the proposed strategy, a few input XFEL diffraction images are matched against a library of simulated diffraction patterns from 1628 electron microscopy models, to find potential matching 3D models. Different procedures were tested to identify the best strategy to define matching regions to be considered on the diffraction patterns when comparing images. It was shown that the resulting matches are dependent on the uniqueness or complexity of the shape of interest and its availability in the library but given a small number of XFEL diffraction patterns, our algorithm is able to identify potential 3D biological shapes.
|
| Current Status of Research Progress |
Current Status of Research Progress
2: Research has progressed on the whole more than it was originally planned.
Reason
We have established a protocol for finding 3D shapes from a few 2D images from EM and XFEL experiments and we have been building up the database with 3D shapes, 2D EM images and 2D XFEL images. Finally we have published several papers, one specific to the EM database and others related to EM and XFEL data.
|
| Strategy for Future Research Activity |
The procedure to find a match given a few 2D EM images or XFEL diffraction patterns is now established. A manuscript with the description of the XFEL protocol to identify 3D shapes from a few diffraction patterns will be submitted shortly. The database, which currently contains 1700 entries, will be expanded to include additional data and tested with additional experimental data.
|
| Causes of Carryover |
Since the XFEL database wasn't fully completed and we are still adding up data, I decided to postpone the purchase of the server to get a more powerful one.
|
