It might be a portal issue. But the pdb staff is very helpful in getting this deposited. We deposited data of I think 4 "crystals" and 3 wavelengths with different phase sets in 2008. (The data was anisotropic, 3.5/4.2 A resolution, model building was not straight forward, so we wanted to preserve as much information as possible. If memory serves right, we have experimental fobs, anisotropy corrected fobs, a derivative and a semet dataset; if you're interested, pdb code is 3dhw, have a look at the sf-file) hth,
Jens On Fri, 2012-04-27 at 20:35 +0200, Mark J van Raaij wrote: > again, it looks like this is particular to the US portal. > We submit via the European www.pdbe.org and can submit multiple datasets. > See 2XGF for an example. > Note: I think from www.rcsb.org only one file can be downloaded, but > www.pdbe.org clearly shows both. > Although you are in the US, you can use the pdbe deposition tool AUTODEP - or > the Japanese one, if you like. > > Mark J van Raaij > Laboratorio M-4 > Dpto de Estructura de Macromoleculas > Centro Nacional de Biotecnologia - CSIC > c/Darwin 3 > E-28049 Madrid, Spain > tel. (+34) 91 585 4616 > http://www.cnb.csic.es/~mjvanraaij > > > > On 27 Apr 2012, at 20:23, Florian Schmitzberger wrote: > > > Dear All, > > > > With my most recent PDBe deposition, in addition to the native data, I had > > intended to deposit the anomalous data, used for structure determination, > > and make it available for download. This turned out to be less > > straightforward than I had anticipated, because the current PDB convention > > is to only allow a single structure factor file for experimental data > > (usually the native dataset), available for download from the PDB. In my > > case, the anomalous data were concatenated with the native data into a > > single cif file (this worked and made sense, because both for both datasets > > the unit cell dimensions are virtually identical). > > > > I imagine it would be beneficial to be able to make available more than a > > single structure factor file, including the ones derived from experimental > > phasing, in the PDB, along with the final coordinates, without > > concatenating the data into a single file (which may lead to confusion to > > users when downloaded). Is this anything the PDB is already working to > > implement in the near future (perhaps via the coming PDBx format)? > > > > Best regards, > > > > Florian > > > > > > > > > > > > > > > > > > > > > > > >
