HI Ben In mmcif we use _exptl_crystal_grow.pdbx_details. See http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_exptl_crystal_grow.pdbx_details.html
John On 26 Jan 2020, 18:02 +0000, benjamin bax <[email protected]>, wrote: > > In PDB files you could put all information about protein delivery buffer, > crystallisation conditions and cryo conditions in > REMARK 280 > > (and pull it through in refmac with keyword > pdbout copy remarks 280 > ) > > Where are you meant to put all the information about what could be in your > crystal in mmcif_pdbx? > > Thanks, Ben > > Web (below) does not seem to give any very clear answers and I could not work > it out from looking at half a dozen recent pdb entries. > Data item below is used in zero depositions. .. > > > Data items in the PDBX_EXPTL_CRYSTAL_GROW_COMP category record > details about the components of the solutions that were 'mixed' > to produce the crystal. > > http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v40.dic/Categories/pdbx_exptl_crystal_grow_comp.html > > loop_ > _pdbx_exptl_crystal_grow_comp.crystal_id > _pdbx_exptl_crystal_grow_comp.sol_id > _pdbx_exptl_crystal_grow_comp.comp_id > _pdbx_exptl_crystal_grow_comp.comp_name > _pdbx_exptl_crystal_grow_comp.conc > _pdbx_exptl_crystal_grow_comp.conc_range > _pdbx_exptl_crystal_grow_comp.conc_units > 4 'protein' 1 'protein' 25. . 'mg/ml' > 4 'protein' 2 'Tris HCl' 20. . 'millimolar' > 4 'protein' 3 'NaCl' 0.2 . 'molar' > 4 'precipitant' 1 'PEG 4000' 12.5 . 'percent_weight_by_volume' > 4 'precipitant' 2 'MES' 0.1 . 'molar' > pdbout copy remarks 280 > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
