Principal Beamline Scientist:
Mike Hough
Tel: +44 (0) 1235 394097
E-mail: Michael.Hough@diamond.ac.uk
Email: david.hall@diamond.ac.uk
Tel: +44 (0) 1235 778926
The beamline is currently operating using the multilayer monochromator for high flux, high-throughput data collections, at a fixed energy of 16 keV (0.7748 Å) that permits collecting data to 1.95 Å at the edge of the detector, with data also extending to 1.6 Å across the full detector area.
Current specifications:
|
Available energy |
16 keV |
| Available wavelengths | 0.7748 Å |
| Band-pass |
DMM 5 x 10-3 ΔE/E |
| Beam size at sample |
< 10 x 10 μm2 |
| Photon flux at 16 keV |
DMM > 2 x 1013 ph/s |
| Beam position stability at sample | < 0.25 μm (0.1-100 Hz) |
| Techniques currently available | Automated screening and data collection of samples in standard in situ format crystallisation plates at 20°C. |
| Sample manipulation, centring and data collection |
Users mark objects in the synchweb interface, and queue points for data collection. Alternatively CHIMP software can automatically identify and target crystals for data collection, by machine learning. All other task a carried out by the beamline. The system loads plates storage to goniometer, images wells, finds samples and collects data. Data are processed and grouped automatically. Users are notified when data is completed so that they can review their results. |
| Key performance parameters |
Grid scans and <60º oscillation data collections are performed at 500 Hz. Imaging and centering each well take around 2 mins so the beamline is able to: - Screen 500 1000 μm2 regions of interest in 24 hours. - Collect 4000 individual oscilation scans in 24 hours. |
| Data Processing |
Datasets from crystals collected in the same well, and/or in designated groups will be automatically processed together, which can result in complete data sets. This can then be further analysed using intensity-based clustering that can separate data into different structures - this automaticaly runs after data collection. Descriptions of Ligands can be added, using a SMILES code, with an automated Ligand-Fitting pipeline running - triggered in this case. |
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
Diamond Light Source Ltd
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
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