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Macromolecular Crystallography
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Instruments by Science Group

Macromolecular
Crystallography
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Matter
Imaging and
Microscopy
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Materials
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Spectroscopy

I03 Contact

Beamline Phone Number:
+44 (0) 1235 778707

Acting Principal Beamline Scientist:
Dave Hall
Tel: +44 (0) 1235 778926 
E-mail: david.hall@diamond.ac.uk

Science Group Leader

Dave Hall

Email: david.hall@diamond.ac.uk
Tel: +44 (0) 1235 778926

I03 MX

Status: Operational

Beamsize: 90 µm x 20 µm
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV

In situ Multi-axis Goniometry Humidity Control Biocontainment Macromolecular Crystallography MAD: Multi Wavelength Anomalous Diffraction Remote Access X-ray Diffraction
  1. Instruments
  2. MX
  3. I03
  4. I03 Manual
  5. Unattended Data Collections
  6. Experiment Types

Experiment Types

Summary of experiment kinds

Experiment kind Protocol Samples/hr (without screening) Samples/hr (with screening)
Native Prioritises completeness/resolution and collects 2 x 360° sweeps, 1st at chi=0 and 2nd at chi=30  20  15
Phasing Two 360° sweeps are collected using different chi/phi values at your chosen energy, using a lower transmission to maximise anomalous multiplicity and completeness.  20  15
Ligand Prioritises speed of data collection and collects a single sweep, 360° dataset  35  25

 

Exposure times, transmission and resolution

The philosophy of UDC is to collect a dataset suited to a particular experimental goal. Exposure settings are tuned to give maximum resolution while avoiding significant radiation damage (the aim is to have final I = 0.85 I0). This avoids the need for manual reprocessing in most cases. 

Radiation damage is first observed in the higher resolution shells. We use the choice of diffraction resolution to scale the total dataset exposure to compensate for this. Collections with a high resolution cut off will be collected with shorter exposure times than low resolution. This also avoids underexposing weakly diffracting crystals.

Below is an example plot showing the total exposure times for the UDC Ligand, Native and Phasing recipes that would be collected on I03 at the standard beamline energy (12700eV) with the 100 micron aperture and using 100% transmission. Exposure times and transmission values are adjusted for different energies.

How to determine sample resolution

It is very important for UDC to have a realistic resolution estimate for your sample, as the dose used is determined by the expected resolution.

The best way to proceed with samples where there is no prior information on resolution, or where significant variation is expected, it to use screening. Detailed instructions on this are here.

Screening can be used with any recipe option.

 

Grouped Data Collections

Synchweb will only show one entry on the main page for the data collection group and the results displayed here will be for the first sweep collected. You can see the results from all sweeps by clicking on the link in the “Group” box to the right (underneath the beamsize).

grouped data collections in synchweb

This link will open a page with all sweeps individually listed. From here you can check the processing status and trigger reprocessing in the same way you would from the main page. By default, the automatic pipelines will try and combine whole sweeps, but will not add part of a sweep.
You might find some sweeps refuse to process automatically due to the weakness of the reflections. In this case you will have to process manually and you may find stacking the images for indexing to be of help (MERGE2CBF can be used for this).

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