Dear John, It’s hard to be absolutely certain from the reproduction, but it looks like you have equally high 2-fold axes all around the xy plane in the self-rotation function. Do you have an explanation for that?
It would be helpful to know the heights of the Patterson peaks relative to the origin peak. However, assuming that the ones you have listed are all relatively high, this can be interpreted in terms of a commensurate modulation or, in alternative terminology, a multiple tNCS vector. All of the peaks are approximate multiples of the same translation vector, i.e. 1/2, 1/2, 1/6. 1/2, 1/2, 1/6 2/2, 2/2, 2/6, equivalent to 0, 0, 1/3 3/2, 3/2, 3/6, equivalent to 1/2, 1/2, 1/2 The next three in this series would be the same vectors in the opposite direction, i.e. related by the inversion operator in the Patterson. If the Matthews coefficient suggests 2 copies, you could probably have 3 in the asymmetric unit related by multiples of the same vector, but not 6. So in Phaser you would express this as TNCS NMOL 3 TNCS TRA VECTOR 0.5 0.5 0.169 Best wishes, Randy Read > On 3 Feb 2021, at 11:34, leo john <ljohn16012...@gmail.com> wrote: > > Sticking to the same doubt: > > Just to check the correct symmetry and space group, I have now processed my > data in P1 and I4 followed by running MOLREP for self-rotation function > (Figure attached). > > Can we conclude now on the correct space group and oligomeric state. > > Thank You all > John > > On Wed, Feb 3, 2021 at 8:34 AM leo john <ljohn16012...@gmail.com> wrote: > Dear All: > > I have a peptide that is crystallized in the space group I4122 with cell > dimensions 40,40, 200 Ang. > Mathews Coefficient suggests 2 molecules/ ASU. > Since I do not have a starting model for MR, I went for experimental phasing. > However, unsuccessful so far. > > Details about my dataset: > > 1) It has been collected at 2 Ang and has an Anomalous signal till 2.7 > 2) It has got Translational NCS. > 3) I checked the self-rotation function using MOLREP (figure attached), but > not able to make anything out of it. Please suggest. > 4) I got the translational and rotational peaks from the log file of MOLREP > > Peak 1: trans.vector /ort/ : 19.270 19.270 98.550 > trans.vector /frac/: 0.500 0.500 0.500 > Peak 2: trans.vector /ort/ : 19.270 19.270 33.326 > trans.vector /frac/: 0.500 0.500 0.169 > Peak 3: trans.vector /ort/ : -0.000 -0.000 65.224 > trans.vector /frac/: 0.000 0.000 0.331 > > Sol_Rf 1 0.00 0.00 0.00 0.00 0.00 0.00 0.4448E+06 > 4.53 > Sol_Rf 2 89.99 112.50 180.00 0.00 180.00 -45.00 0.3561E+06 > 3.63 > Sol_Rf 3 109.56 6.31 180.00 6.31 -140.88 173.69 0.4912E+05 > 0.50 > > These are unique peaks. > > My questions are: > > 1) How to read these MOLREP records and the plots to conclude something. How > can I guess the oligomeric state using the plot. Any link or suggestion will > be really helpful. > 2) How to specify the TNCS during phaser run. > > Thank You all > John > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > <SRF_P1_I4.png> ----- Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: +44 1223 336500 The Keith Peters Building Fax: +44 1223 336827 Hills Road E-mail: rj...@cam.ac.uk Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk ######################################################################## 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/
