[ccp4bb] Dock two substrates into enzyme

2014-03-25 Thread Haiying Bie
Good morning, Everyone, We are trying to dock two small molecule ligands into a big active site of the enzyme. We tried to dock two simultaneously using Autodock Vina, but one always got kicked out. Is there a way we can dock both ligands? Thanks for your suggestions. Best, Haiying

Re: [ccp4bb] High Rwork/Rfree values

2013-06-25 Thread Haiying Bie
afterwards Phil Jeffrey Princeton -- Haiying Bie, Ph.D. Postdoc Fellow at Michael James lab 4-29 Medical Science Building Department of Biochemistry University of Alberta, Edmonton, T6G 2H7

[ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Haiying Bie
Hi, all I have encountered the high Rwork/Rfree values. Here is the story: The glycosylated native protein structure is solved in the P212121 with unit cell parameters of 72.6, 78.0, and 112.5 and the all solution statistics are perfectly fine. I am trying to crystallize and solve the structure