Dear Michael,
As we already wrote to Helen and John, structure factors for our deposit (PDB ID 3FTT and RCSB ID RCSB051033) were mis-processed. Currently, what was pointed on CCP4BB, instead of experimental amplitudes and sigmas PDB reports calculated amplitudes and phases. Most probably our deposited mtz file was wrongly processed because of non-standard labels for some data (F_set1 instead of F and SIGF_set1 instead of SIGF). Could you send me as soon as possible information on processing of our data file and correct our deposit? If it is necessary I will send you file with structure factors.
I am including letter that I have sent to Helen and John on Saturday morning:
Dear Helen and John,
Following our conversation in the morning, please look into the problem with conversion of our MTZ data (for the 3ftt deposit) into structure factor CIF files. Apparently, instead of Fobs and sigmas, the Fcalc and phases are in the CIF file.
To avoid these problems in the future, I propose that the CIF file containing structure factors is sent to authors for approval together with other files. I hope that we can resolve that quickly, taking into account the current discussion on the ccp4 bulletin board.
I will copy you with discussion on ccp4 bulletin board initiated by Gerard.
Best regards
Wladek
Best regards,
Wladek
Professor of Molecular Physiology and Biological Physics
Phone: 434-243-6865
Fax: 434-982-1616
http://krzys.med.virginia.edu/CrystUVa/wladek.htm
US-mail address:
Department of Molecular Physiology and Biological Physics
University of Virginia
PO Box 800736, Charlottesville, VA 22908-0736
Fed-Ex address:
Department of Molecular Physiology and Biological Physics
1300 Jefferson Park Avenue
University of Virginia
Charlottesville, VA 22908
