Collaborative Crystallography:CC Experimental Info Sheet
Contents |
[edit] Introduction
In order for your data to be collected and processed efficiently, it is very important to let us know exactly what is expected for each sample. To accomplish this, we have setup a spread sheet that needs to be filled out by the CC pilot program participants when sending us their samples.
The relevant excel spread sheet and be found here. Below, examples and clarifications on what to fill out where is given.
[edit] Experimental Info Sheet
[edit] Basic details
The tab Basic details contains very basic details regarding the project. There are three main sections to be filled out:
Project info
- Project ID: CC project ID
- Date: Date when filling out this form (month/day/year)
Group info
- PI: Name of the PI for the project
- institute: Main affiliation of the PI
- Email address: Email address of PI
- contant ph. no.: Phone number of PI
Experimenter details
- Puck owner name: Owner of a puck, Typically, the scientist responsible for the sample.
- email: Email address of the puck owner
- Contact Phone Number: Phone number of puck owner. This is important information. When collecting data and we encounter problems, we can contact the person that knows best what is going on with the sample.
- Puck names: Puck names (and possibly pin numbers) that contain puck owners sample.
Dewar details
- Dewar Name: The name of a dewar. Because we have many dewars around, it is not a bad idea to name individual dewars for us to locate them easely.
- Dewar contents: The content of a dewars in terms of puck names.
- Shipped on: When dewar was shipped
- FEDEX Tracking number: The fedex tracking number.
- Expected return date: When do you expect your dewar to be returned to us.
Sample details
- Number of residues: Number of residues in monomer. If a hetero complex has been crystallised, indicate this with a '+' : 350+240
- Sequence: The sequence of the protein or complex.
- expected number of monomers: If known, give expected number of units in the ASU
- Expected solvent content: If known, give expected solvent content.
[edit] Screening Info
The screening info tab in the worksheet, has two sections. One part that needs to be filled out by the participant and one part that will be filled out while screening. Sections in red are to be filled out by CC staff only.
[edit] To be filled out by CC particpant
- Puck name: Name of puck
- Pin No: Pin number (p1-p16)
- XtalID: A unique xtal ID.
- Priority: Priority of this crystal. 1 is high, 4 is low. Usefull when time is limited.
- Space group: Expected space group
- Unit cell: Excpect unit cell
- Expected resolution: Expected resolution
- Cutoff resolution: If the crystal diffracts to this resolution of better, the data will be collected.
- Experiment type: Native, MAD or SAD. For MAD indicate what kind of experiment is desired. Use terms like infl, pk, hrem and 2wmad, 3wmad or sad. Note that when we are able to solve the substructure and get a decent map with a SAD experiment, we might move to another crystal. It is therefor important for us to know all sample details so that we can use the beamtime as efficiently as possible.
- Heavy atom content: Needed for MAD or SAD experiment.
- Other comments: Other usefull comments such as previous experiences in terms of splitting of crystal, radiation sensitivity etc etc.
[edit] To be filled out by CC staff only
This section will be filled out by the people who collect the data.
- Observed resolution: Resolution to where spots are seen on a single image
- Ice rings: indicates the presence of ice rings (None, medium, Severe)
- Mosaicty: Mosacity as observed from a single or two images
- Spot shape: How do the spots look?
- Lattice: Indication of number of lattices. Single means that the lattice is single, Multiple indicates more then a single lattice, Salt indicates that the crystal is in fact a salt.
- Collectable: Whether the data can be succesfully indexed and is collectable.
- Data prefix: Data prefix used when collecting from this crystal. If None is given, no data was collected fro this crystal.
- Unit cell: Unit cell as obtained from initial autoindexing
- Point group: Point group as obtained from initial auto indexing.
[edit] Collection & Processing Results
- Puck name
- pin no
- Xtal ID
- data prefix
- No. Frames
- Total phi range
- delta phi
- Exposure time/frame
- detector distance
- pass type
- energy
- wavelength
- f' and f"
- space group
- refined unit cell paramneters
- processing resolution
- refined mosaicity
- rsym overall
- i/sigi overall
- rsym highest resolution
- isig highest resolution
- redudancy
- anomalous redundancy
- completeness overall
- Anomalous completeness
- data strenghth
- Total no of reflectiuon
- unique reflections
[edit] Structure solution and refinement
- Substructure solution
- Molecular replacement
- Initial phasing
- Map quality
- Model building results:
[edit] Acknowledgments
The structure of the experimental info sheet as displayed here is inspired by the setup as used by reciprocal space consulting .