A Request for Information

One of the most difficult problems that faced us, in compiling this databank was (and still is) the lack of any systematic procedures for publishing/depositing expermental details. We were fortunate that many crystallographers were kind enough to provide information, missing from publications, directly to us (through private communications). However, the task of contacting individual crystallographers is becomming non-practical as the number of published structures increases dramatically.

In order to correct, improve and extend this databank we would like to suggest systematic and convenient procedures for the depostion of data. In the first instance:

  • If individuals have access to information missing from our Databank, could this information be sent to us directly please via email
  • Authors should endeavour to publish, at least, the following experimental details
    • Protein Name (and PDB code, if data deposited)
    • Heavy Atom compound name (in full if possible) and Concentration (mM)
    • Preciptitant name and Concentration (M or Percentage)
    • Buffer name and Concentration (M)
    • Addictive name and Concentration (M or Percentage)
    • pH for Derivative
    • Soak Time
    • Temperature
    • Other details e.g. Cross-linking, Light Conditions
    • Space Group and Cell details of Derivative
    • Atomic coordinates (& occupancy) of Heavy atom(s)
    We would also like to see the structure factors for Derivatives deposited !

In the longer term, it is hoped that experimental details for new structures be sent directly to us. We will shorly provide an online form for this purpose.