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so perhaps the problem indeed is sending different wavelengths as one file...in our case there is only one crystal, one wavelength, i.e. one loop, while I clearly submitted all three wavelengths. Quoting "Miller, Mitchell D.": > We (JCSG) too have been depositing multiple data sets (including unmerged > original index intensities for each wavelength and even for multiple crystals > when one was used for phasing and another for refinement, and MAD phases > and DM modified map coefficients) since 2004 without problems. These > are all in separate data loops of a single structure factor file. > Regards, > Mitch > > -----Original Message----- > From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf > Of Jens Kaiser > Sent: Friday, April 27, 2012 11:54 AM > To: [log in to unmask] > Subject: Re: [ccp4bb] Off-topic: PDB deposition of multiple > structure factor files > > 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 >> > >> > >> > >> > >> > >> > >> > >> > >> > >> > >> > >> > > Mark J van Raaij Laboratorio M-4 Dpto de Estructura de Macromoléculas Centro Nacional de Biotecnología - CSIC c/Darwin 3, Campus Cantoblanco 28049 Madrid tel. 91 585 4616 email: [log in to unmask]