Re: [ccp4bb] significant drop in Rfree ?

2008-02-25 Thread Frank von Delft
But I cannot use this error to judge whether something I do to the refinement is a significant improvement or not. Indirect proof through argumentum absurdum: Assume the su of Rfree is 0.008, and I build n waters. Rf drops from 24.4 to 13.9, by 0.005, less than the su. I build n+m waters, say

[ccp4bb] Closing date for applications to the Membrane Protein Laboratory at Diamond - 27th February.

2008-02-25 Thread Carpenter, EP (Liz)
Dear All, The closing date for applications to the Membrane Protein Lab (MPL) at Diamond is approaching: Please send in your application by the 27th of February, if you haven't already done so. The MPL is a research facility which provides equipment and expertise in the area of membrane

[ccp4bb] Unknown density

2008-02-25 Thread Franck Coste
As Edward MITCHELL suggested, I made a phased anomalous difference map and could clearly see the S atom of my sulfide bridges and 1 Ca atom as I espected. Concerning the unknown density, the shape is the same as in the fo-fc map Updated images at :

[ccp4bb] Molrep fails to run

2008-02-25 Thread Mike Xishan
Dear all sorry if this query has already been asked. Whenever, I run a job for molecular replacement in Molrep program using ccp4i, it fails to run and shows the following error. Child killed: segementation violation I would appreciate for suggestions to fix this eror. xishan

Re: [ccp4bb] Unknown density

2008-02-25 Thread David J. Schuller
Remember that since it is on a special position (2-fold?), you may not be looking at a single object, but an overlay from two or more positions. The anomalous map is very useful; the mystery molecule must have an anomalous scatterer. It would be even more helpful if you had mentioned the

Re: [ccp4bb] significant drop in Rfree ?

2008-02-25 Thread Jacob Keller
There was once a fellow named Zeno who made a similar argument. Aristotle was not convinced. Dr. Merritt, are you bringing a proof from Aristotle? But he believed in intelligent design (see below for his argument), and therefore would be shunned and blacklisted these days from any

Re: [ccp4bb] Molrep fails to run

2008-02-25 Thread Stein, ND (Norman)
Dear Xishan Can you tell me what version of CCP4 you are running and on which platform? Have you been able to run other programs through ccp4i successfully? Does the molrep job fail immediately or does it produce any output before failing? If the latter, it would be very useful to see all the

[ccp4bb] real time in situ competetion crystallization(RTISCC)

2008-02-25 Thread Yanming Zhang
Dear All, I set up drops using RTISCC:1Lambda protein complex+1Lambda reservoir. But I am not sure how much another ligand(50mM) I should add into the drop. Any suggestion? Thank you very much. Yanming