[ccp4bb] acceptable difference between Average B-factor and Wilson B

2019-03-12 Thread Eze Chivi
Dear CCP4bb community, The average B-factor (calculated from model) of my protein is 65, whereas the Wilson B is 52. I have read in this BB that "it is expected that average B does not deviate strongly from the Wilson B". How I can evaluate if the difference calculated for my data is razonable

[ccp4bb] Discrepancy between (initially indistinguishable) space groups in mtz and pdb

2019-03-07 Thread Eze Chivi
Dear CCP4bb community: My data set was indexed assuming the space group "I 2 3" (SG number 197), however it is indistinguishable from "I 21 3" (SG number 199). Refinement was carried out initially by a colleague in Phenix picking the SG "I 21 3" from the two listed SG (this is the correct one j

[ccp4bb] Change dimer assembly in ASU

2019-03-04 Thread Eze Chivi
Dear CCP4bb community: My crystal is a heterodimeric complex. I solved the structure using MR with a related structure (containig the dimer), using a highly automated pipeline. However, the MR solution is not the dimer of biological relevance. The experimentally validated dimer is formed between

[ccp4bb] question about resolution bins in deposition

2017-11-06 Thread Eze Chivi
Hi, my PDB file lists only 4 resolution bins (full range: 1.6-19.1A). This is the first time I noted this behavior (It's used to be 20 bins). It is OK for deposition? It is need to rearrange statistics? How I can do that? Thank you very much. (I did my refinements in phenix, oops!, but the ccp4b

[ccp4bb] MrBump doesn't work (6.4.0 update)

2014-08-03 Thread Eze Chivi
Hello, I have a problem with the update 6.4.0 of ccp4: MrBump does not start, it freezes in the message "Please wait...drawing task window mrbump" and the error "expected integer but got """. Sometimes, MrBump starts, but drop-down menu doesn't work. Same problem in Linux or Windows versions. Th