[ccp4bb] PCB buffer and MMT buffer

2007-01-29 Thread Jenny
Hi, Sorry to bother you all.I'm going to try to reproduce some results from the initial screening from PACT kit.The conditions are something like 0.1M PCB buffer, 25% w/v PEG 1500 and 0.1 MMT buffer, 25%w/v PEG 1500. I was just wondering is there any easy way to get these buffers?Do you happen to

Re: [ccp4bb] : misbound ligand examples?

2007-01-29 Thread jjwarren
Here's another late addition to the discussion, which Chad's comment reminded me of: We just deposited a similar-sounding structure of a DNA polymerase (2HVI). The protein is in the closed conformation, with ddCTP pairing with G in the active site of the two monomers in the ASU. A third ddCT

Re: [ccp4bb] : misbound ligand examples?

2007-01-29 Thread Chad Brautigam
Hi, Phoebe, Sorry to jump in late on this one- but I second Stefan's note here. When soaking dinucleotides (which are poor substrates) into Klenow Fragment xtals, I noted binding both at the active site and at a crystal interface site that is likely nonphysiological. The adventitious site is

[ccp4bb] GRASP colouring

2007-01-29 Thread Iain Kerr
I have a GRASP session saved which I startup by reading in "grasp.state". I have changed some colours in "defcol.dat" and I would like these changes to take effect in my saved session, but everytime I read in "grasp.state" it changes the colour palette back to the default set again. Does anyone kn

Re: [ccp4bb] 3 letter code for the Ligand

2007-01-29 Thread Eleanor Dodson
You can use any acronym and your dictionary file overrides any existing entry. but check at the RSCB or EBI if your ligand already has a defined ID. Isnt a dsn6 file a map file, whereas an mtz file is a list of reflections? You can calculate a CCP4 map from your mtz file, then read that into O

Re: [ccp4bb] ligand restraints

2007-01-29 Thread David Schwefel
Thanks a lot for the replies. The option which allows to set the chirality restraints to "both" was exactly what i was looking for, since i use refmac for refinement. Surprisingly, the binding site seems not to be stereoselective in this case. greetings, david -- "Feel free" - 10 GB Mailbox, 10