[ccp4bb] Ligplot for active sites without any ligand

Dear BBs, I am looking for a program to plot the network of the residues in the active site of my enzyme in 2D. I want to show  how the residues differ in distances to each other in several variants. A Program just like ligplot, but also for active sites without a ligand. Does anybody know

[ccp4bb] Alignment of AU?

Hi everybody, I have a question concerning a sequence alignment with the sequences of my 4 molecules in the AU. Unfortunately I found out that the sequences of the 4 monomers do not match exactly. I used the program moleman and it showed me the different numbers of atoms for the monomers. I

[ccp4bb] PDB Validation Report

Dear all, I just finished my first protein structure. More or less. I'm using right now the pdb validation server to check the data and the data look quite well.. The only point irretating is following line in the Adit Validation Report: The following residues have unexpected configuration of

[ccp4bb] off-topic: crystal optimization without buffer

Hi everybody, sorry for my off-topic question. I got small initial crystals in 200mM NaSulfat and 20% PEG 3350. There is no buffer in this condition. How can I optimize these crystals? Just vary the PEG concentration?  Or should I add a buffer; or vary the pH of the buffer the proteinsolution

[ccp4bb] structure validation tools

Hi everybody, I solved my first crystalstructure and now want to publish it. But how do I know the structure is ready for publication and deposition in the pdb. We can explain our theory with the structure but which factors I have to regard to publish nothing wrong or bad. Can anybody tell how

[ccp4bb] anisotropic data

Hi everybody, is there a way to improve crystals that diffract strongly anisotropic? We got data between 2.5 and 4.0 A and scala says we should cut these data at 3.9 A. It's such a... I want to solve this structure! greetings Katja __ Do You