[ccp4bb] question about a dataset with pseudotranslational symmetry

2012-05-25 Thread Ke, Jiyuan
Dear All, Recently I collected a data set to about 3.1 angstrom. Using Xtriage program, I found a pseudo translational symmetry on the c-axis. I noticed that overall diffraction intensity is weak for this dataset. I wonder if there are flaws in the crystal and I have difficulty to solve the

[ccp4bb] Suggestions for solving a structure with 8-10 copies per asymmetric unit

2012-04-30 Thread Ke, Jiyuan
Dear All, I have a question regarding solving a crystal structure by molecular replacement. It is a single protein with a molecular weight of 25.5 kDa. The cell dimension is rather big from the diffraction data ( 90.9 Å, 143.9 Å, 216.3Å, 90°, 90°, 90°). The possible space group is P212121.

[ccp4bb] Refinement of a structure with intermolecular disulfide bond

2011-10-27 Thread Ke, Jiyuan
Dear All, I have a question regarding refinement of a crystal structure with intermolecular disulfide bond. There is one monomer in an asymmetric unit. The biological assembly for the molecule is a disulfide bond linked dimer. And the disulfide bond is on a 2-fold crystallographic symmetry.

[ccp4bb] Question about drawing disulfide bonds in Pymol

2011-10-26 Thread Ke, Jiyuan
Dear All, I have a question regarding making disulfide bonds in Pymol. The overall structure is in cartoon representation. When I display the disulfide bond residues as stick models, the cysteine residues sitting on the beta strand have a gap from the actual beta-strand. If I check off the