Not sure if it's been mentioned that NCS can help a lot at that resolution. We did some mutants derived from a 2 Angstrom native structure at about that resolution with 4-fold NCS and the maps were quite convincing, well, I thought anyway. That was in the days of RESTRAIN which, I think, had an implementation of NCS refinement that was a bit different from current progs. Ian will know ;-0
Best wishes, Jon Cooper. [email protected] Sent from Proton Mail mobile -------- Original Message -------- On 21 Nov 2023, 20:27, Albert Castellvi Toledo wrote: > Also forget to observe side chains at 4A! At this resolution is crucial to > critically assess the position of each amino acid in your model, taking into > account factors such as hinges in your structure, hydrophobic and hydrophilic > regions, and the types of contacts between secondary structure elements. > Paying attention to these details can enhance the accuracy and reliability of > your model. > > Good luck! > > Albert Castellví > > On 11/21/23 20:57, Albert Castellvi Toledo wrote: > >> Hello, >> >> At low resolutions, model bias becomes a significant issue, capable of >> yielding inaccurate MR solutions even with favorable figures of merit. In my >> experience, it is always necessary to validate MR solutions at low >> resolution. One effective approach involves systematically omitting small >> fragments from the model and see if the resulting maps suggest you the >> placement of the omitted fragment or not. This method enables the >> identification of whether the solution is genuinely robust or if it is >> highly influenced by model bias. >> >> Salut, >> >> Albert Castellví >> >> On 11/21/23 13:02, Yahui Liu wrote: >> >>> Dear all, >>> I got a protein crystal dataset of 4.3 A and would like to some the >>> structure with MR. >>> Now I am suffering with the refinement. I used both Refmac and Phenix. >>> >>> Someone could give me a hand or any suggestions? >>> >>> All the best >>> >>> --------------------------------------------------------------- >>> >>> To unsubscribe from the CCP4BB list, click the following link: >>> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> >> --------------------------------------------------------------- >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > --------------------------------------------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
