[ccp4bb] How to identify unknow heavy atom??

2012-07-24 Thread Haytham Wahba
1- if i have anomalous peak of unknown heavy atom, How can i identify this heavy atom in general. (different methods)     2- in my case, i see anomalous peak in heavy atom binding site (without any soaking). preliminary i did mass spec. i got Zn++ and Cu, How can i know which one give the anomal

[ccp4bb] how to define coordinate number of Heavy atom and identity of attached atoms

2011-07-13 Thread Haytham Wahba
  Dear all i have protein soaked in Dimethyltindibromide in the active site 2 cysteine and 1 aspartic acid by help of anomalous map i can see 2 Sn atoms in each subunit in AU there is difference in both subunits, Sub-A shows acetate near Sn and Sub-B show phosphate ion, even the position of one

[ccp4bb] Phenix Refine

2011-05-16 Thread Haytham Wahba
when i refine using phenix.refine i get this error number of groups of duplicate atom labels:1 total number of affected atoms: 2 group "HETATM 3466 BR PDB F 1 .*. BR " "HETATM 3467 BR PDB F 1 .*. BR " could you please tell me what is that Haytham Wahba PhD stu UdeM

[ccp4bb] difference simulated annealing map

2011-05-03 Thread Haytham Wahba
what is the difference simulated annealing map and how can i generate it haytham wahba Ph.D student Biochemistry Dep UdeM