[ccp4bb] Resolution Discrepancy in Data Set

2024-01-17 Thread Liliana Margent
Hello all, I hope this message finds you well. In my current data set, I’ve encountered a discrepancy between the completeness in the high-resolution shells in merged statistics vs the refinement statistics. For example, when I look at my merged statistics file, output by Xia2 dials, the compl

[ccp4bb] Modeling Disulfide Bond Occupancies

2024-05-06 Thread Liliana Margent
Greetings everyone, I'm currently in the process of modeling a disulfide bond in two structures. However, when I attempt to model single occupancy for the cysteines involved in the bond, negative density blobs emerge within the disulfide bond. This suggests the possibility of alternate conforma

Re: [ccp4bb] [EXTERNAL]Re: [ccp4bb] Modeling Disulfide Bond Occupancies

2024-05-08 Thread Liliana Margent
Thank you so much From: Eleanor Dodson Date: Monday, May 6, 2024 at 3:30 PM To: Liliana Margent Cc: CCP4BB@jiscmail.ac.uk Subject: [EXTERNAL]Re: [ccp4bb] Modeling Disulfide Bond Occupancies ***ATTENTION: This email came from an external source. Do not open attachments or click on links from