Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, For interest, the only other example I know of where diffraction images show two different space groups is presented in a paper by Zbyszek Dauter et al, Acta Cryst D61, 967-975, 2005, where crystals of the proteolytic domain of Lon contained superimposed orthorhom

[ccp4bb] Spam email after sending mail to ccp4bb

Every time I send an email to ccp4bb, I get a spam email from 295981...@qq.com that consists of a single line of Chinese (Japanese) characters, is anyone else getting this? Thanks, Andrew To unsu

Re: [ccp4bb] Regarding the correct space group identification

Boaz > > Boaz Shaanan, Ph.D. > Dept. of Life Sciences > Ben Gurion University > Beer Sheva, Israel > > On Aug 1, 2022 18:24, Andrew Leslie - MRC LMB > wrote: > Dear Sayan, > >I believe that I have found the answer to your problem. > Wh

Re: [ccp4bb] Regarding the correct space group identification

ure solution is ~29/32%. For C2 structure > solution, it is a little higher, 32/35%. > > > With best regards, > Sayan Saha. > > > > > > On Fri, Jul 29, 2022 at 3:25 PM Andrew Leslie - MRC LMB > mailto:and...@mrc-lmb.cam.ac.uk>> wrote: > Dear

Re: [ccp4bb] Regarding the correct space group identification

22121 structure solution is ~29/32%. For C2 structure > solution, it is a little higher, 32/35%. > > > With best regards, > Sayan Saha. > > > > > > On Fri, Jul 29, 2022 at 3:25 PM Andrew Leslie - MRC LMB > mailto:and...@mrc-lmb.cam.ac.uk>> wrote: &g

Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, Using imosflm, based on the two images that you have uploaded, the cell appears to be orthorhombic (approx 80, 85, 111) and there is no evidence for the C2 unit call that you suggested. Using only the second image there is a C2 solution, but the prediction is ver

Re: [ccp4bb] Regarding the correct space group identification

Dear Sayan, I could be wrong, but perhaps Kay was asking you to provide the actual images, rather than jpeg images. One can usually get a lot more information by processing the actual images rather than looking at the jpegs. Best wishes, Andrew > On 28 Jul 2022, at 17:11,

Re: [ccp4bb] Comparing two datasets

I think that POINTLESS works with intensities rather than structure factors (I’m not sure if this can be changed). Also, SCALEIT gives a much more detailed breakdown (R factors as a function of resolution and differences in terms of sigmas etc) than POINTLESS WILL. Cheers, Andrew > On 26 Jul

Re: [ccp4bb] Comparing two datasets

I think that SCALEIT should be able to do this. This was originally designed to compare Fs for Native and heavy atom derivate data, but can compare any two similar datasets (ie those that can sensibly be scaled together). You will need to merge the two mtz files first. Cheers, Andrew > On 25

Re: [ccp4bb] Strange crystal packing in twined crystal

Dear Florian, There have been previous examples where there are distinct “layers” of protein packing without any obvious density linking the layers, as it appears in the image you show. One is tyrosyl tRNA synthetase, where the layers were in fact linked by a disordered dom

[ccp4bb] Bug when running imosflm under Mac OS Monterey

When running imosflm under Mac OS Monterey, the program gives an X error: X Error of failed request: BadValue (integer parameter out of range for operation) Major opcode of failed request: 45 (X_OpenFont) Value in failed request: 0x60005c Serial number of failed request: 1474 Current

[ccp4bb] Bug in starting the CCP4 distributed version of imosflm in latest CCP4 Updates (7.0.017 and 7.1.018)

The latest version of imosflm (7.4.0) was included in the ccp4 Update 7.0.17 released 11th Nov 2021. Unfortunately there is an error in the startup script, which will result in the following error message: Error in startup script: extra characters after close-quote while executing "set ::e

Re: [ccp4bb] am I doing this right?

Hi Ian, James, I have a strong feeling that I have seen this result before, and it was due to Andy Hammersley at ESRF. I’ve done a literature search and there is a paper relating to errors in analysis of counting statistics (se below), but I had a quick look at this and co

[ccp4bb] Re-Release of iMosflm version 7.4.0

Dear All, Version 7.4.0 of iMosflm has just been re-released and can be downloaded from: https://www.mrc-lmb.cam.ac.uk/mosflm/imosflm/ver740/introduction.html *** Note that the Windows version will not process HDF5 images (

[ccp4bb] iMosflm version 7.4.0 release withdrawn

A bug has come to light in reading some hdf5 files (from Eiger detectors) in the latest version of mosflm (7.4.0) . the program will stop with an error message when attempting to read the hdf5 file. I have therefore blocked the download site until this has been fixed. I will send a new message

[ccp4bb] New iMosflm release, version 7.4.0

Dear All, A new version of iMosflm (7.4.0) has just been released. It can be downloaded from: https://www.mrc-lmb.cam.ac.uk/mosflm/imosflm/ver740/introduction.html This version has improved integration for very weak images

Re: [ccp4bb] AW: [ccp4bb] Antwort: Re: [ccp4bb] chain on 2-fold axis?

Dear Kay and Jon, I cannot remember Ian Tickles original posting on this (assuming that it was made to the bulletin board), but surely the resolution of the data is also a very important factor in the danger of over-fitting. The lower the resolution, the worse the experimental data to refined p

Re: [ccp4bb] How to process two datasets 45 degrees apart?

Dear Murpholino, Assuming that the two datasets are from the same crystal, and collected without moving the crystal in-between, then when processing with mosflm I recommend processing both sweeps in the same mosflm run. This is because you will get more accurate cell