Re: [ccp4bb] Low resolution and high anisotropy

2022-10-27 Thread Clemens Vonrhein
Dear Lande, On Wed, Oct 26, 2022 at 08:09:10AM +0100, Lande Fu wrote: > I noticed STARANISO processd the data all the way down to 1.7A, with > very poor stats on high resolution shell. Were you looking at the second table in the original email? It is not in a format I recognize as coming from STA

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-26 Thread Martin Malý
Dear Shenyuan Xu, I dealt with a similar problem recently. In my particular case, a combination of the correction with STARANISO and a subsequent molecular replacement with the MoRDa pipeline helped me a lot. MoRDa was able to suggest how to place individual protein domains separately in the u

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-26 Thread Eleanor Dodson
How to deal with poor data is a challenge. Look at the images - see at what resolution there is detectable diffraction. Then run a self rotation function.Do you expect a trimer? dimer? etc and does the self rotation give any clues? Are your models dimers? trimers? etc. Eleanor On Wed, 26 Oct 2022

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-26 Thread Lande Fu
Hello Shenyuan, I noticed STARANISO processd the data all the way down to 1.7A, with very poor stats on high resolution shell. I have two suggesstions: 1.You may want to reivse the raw images to check the anisotropy (that all spots are distributed in an flat ellipse). 2. If you can scale&mer

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-24 Thread Mark J. van Raaij
The improvement in statistics by STARANISO is really spectacular, but I do wonder how much is caused by the directionally variable resolution limits and how much by the removal of solvent rings? The original data set statistics have big dips in CC1/2 at 6, 4.3 and 3.7 Å. Also in the final statis

Re: [ccp4bb] Low resolution and high anisotropy

2022-10-24 Thread Tim Gruene
Dear Shenyuan Xu, it is a good sign that the model and density to not match - at 3.07A, one often only has model bias with a poor MR solution. You don't want to start with refinement, better to start with model building: make the model fit the density better, before you run refinement, and check a

[ccp4bb] AW: [ccp4bb] Low resolution and high anisotropy

2022-10-24 Thread Schreuder, Herman /DE
MR search for only 3 or 4 molecules. Best, Herman Von: CCP4 bulletin board Im Auftrag von Xu, Shenyuan Gesendet: Montag, 24. Oktober 2022 03:43 An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Low resolution and high anisotropy Dear CCP4 community, I have encountered a dataset, which I thought should

[ccp4bb] Low resolution and high anisotropy

2022-10-23 Thread Xu, Shenyuan
Dear CCP4 community, I have encountered a dataset, which I thought should be easy to solve. The volume of the cell unit seems to be expanded after image 271, which I think is caused by radiation damage. After removing the last few images, the scaled statistics seem good with the resolution set at