Crystals

Creating a crystal in IceBear

You can create a crystal in the Drop Viewer, by switching to the Crystal Selection mode and clicking the drop image.

During crystal fishing, you can also mark the image, or simply drag from the well to the pin or puck. Either of these actions will create a crystal.

Crystal view

This page shows you all the information about your crystal, pulled in from all over IceBear. You can see the details of the plate, the screen, the protein, and any attached PDB codes or datasets, as well as links to any shipments containing the crystal.

The crystal view, showing the basic details and the Protein tab.

Basic details

On the left of the screen, you will see the drop image with the position of the crystal marked. There is a link to the drop viewer, where the imaging history and the surrounding plate can be viewed. The plate, well and drop are shown, along with the screen and crystallization conditions.

You can also assign a star rating to the crystal. The meaning of this star rating is entirely subjective; use it to rate your crystals by what matters to you.

The Protein tab

This tab shows you the project, protein, and construct, and allows you to manage PDB depositions associated with the crystal.

Linking a PDB code to your crystal

Type the PDB code into the box, and click Link. Your PDB code will appear in the "Deposited structures" list.

Linking a PDB to a crystal automatically creates a PDB deposition page in IceBear, from which you can jump straight to the PDB record in the various data banks.

Clicking the PDB code in this list will take you to the PDB deposition page. You can also find this page by searching for the PDB code in the "Find by name..." box in the page header.

Unlinking a PDB code from your crystal

Click the red and white X button beside the PDB code that you want to unlink. It will be removed from the "Deposited Structures" list.

Unlinking a PDB code from the crystal does not remove its PDB deposition page.

The Datasets tab

The crystal view, showing the Datasets tab.

The Datasets tab shows all datasets for this crystal, grouped under the shipments where they were generated. You can also attach datasets to the crystal without having a record of the shipment in IceBear.

Adding a dataset

Click the Add dataset... button under the relevant shipment, or in the "no associated shipment" box. A new form will appear.

Creating a dataset.

Assign a Star rating to your dataset. Star ratings are entirely subjective, and are independent of parameters like resolution, so you can use them to show how important you think this dataset is.

In the Dataset location field, enter a URL, DOI, or other location where the raw data is stored.

In the Description field, enter a short description of why the dataset is important.

The Associated PDB code field lets you link this dataset to a PDB deposition. You must first have linked the PDB code to the crystal.

In the Beamline field, choose the synchrotron and beamline. The detector details will be filled in automatically, but you can edit or delete these if you wish.

Lastly, click the Create dataset button.

Viewing a dataset

Click the View... button beside your dataset. The dataset will appear - see above for details of what the fields mean.

You can also add notes to the dataset.

Deleting a dataset

Click the Delete button next to the dataset. This deletes IceBear's record of the dataset, and any files or notes attached to that record. IceBear will not attempt to delete the raw data itself.

Files tab

Here you can see attached files, and attach new files if you have permission.

Viewing files

Any attached files are listed along with a description and the file size. Click the filename to open the file in a new tab.

Attaching files

If you have permission to add files, simply select the file, give a short description, and click the Add file button.

Notes tab

Here you can read any notes that have been made, and make new ones if you have permission.

All notes are labelled with the date and time when they were added, as well as with the name of the author. You don't need to write these into your note.