[ccp4bb] BIOXHIT S-SAD workshop at ITQB

Dear all, the Oeiras TID center at ITQB is organizing the second edition of the BIOXHIT workshop entitled S-SAD diffraction data phasing of macromolecule single crystals from home and Synchrotron X-ray sources that will take place June 18-21. The course will be lectured by Gordon Leonard, George

[ccp4bb] SLS proposals, new call and reminder, open call

Dear SLS users, (prospective SLS proposers please read the FULL text) 1)Call for Proposals: SLS Beamlines IR, ADRESS, cSAX, Lucia, MicroXAS, SuperXAS, MS (Diffraction, Powder), PolLux, SIM, SIS, SIS-XIL, VUV, Tomography

Re: [ccp4bb] Does NCS bias a randomly-chosen test set (even if not enforced)?

(I'm probably wrong, but I want someone to show me,and not with hand-waving arguments or invocation of crystallographic intuition or such) To convince me, someone needs to show that the expected value of the change in |Fo-Fc| at a test reflection upon a change in the model (a step of

[ccp4bb] References for ligand flipping

Hi, Thanks to everyone for suggestions on making disulfides. I do have another question. Can anyone suggest some references for structures showing that a small molecule ligand binds differently in closely related proteins? Thanks, Kendall -- Kendall W. Nettles, PhD Assistant Professor

[ccp4bb] Over-refined structures Rfree...

In some of the cases discussed in the thread, a less biased Rfree could be calculated by procedures discussed in the paper below. Felcy, a post-doc of mine, followed ideas discussed by several at conferences and examined systematically the impact of NCS on Rfree, and how to mitigate the effect.

Re: [ccp4bb] Does NCS bias a randomly-chosen test set (even if not enforced)?

Frank von Delft wrote: (I'm probably wrong, but I want someone to show me,and not with hand-waving arguments or invocation of crystallographic intuition or such) To convince me, someone needs to show that the expected value of the change in |Fo-Fc| at a test reflection upon a change in the