You didn’t tell us what method and computer programs you are using for phasing.
If you are using Molecular Replacement and not getting a solution, it could be that your model isn’t close enough to the actual solution. Diana ************************************************** Diana R. Tomchick Professor Departments of Biophysics and Biochemistry UT Southwestern Medical Center 5323 Harry Hines Blvd. Rm. ND10.214A Dallas, TX 75390-8816 diana.tomch...@utsouthwestern.edu<mailto:diana.tomch...@utsouthwestern.edu> (214) 645-6383 (phone) (214) 645-6353 (fax) On Apr 19, 2019, at 1:11 PM, Almudena Ponce Salvatierra <maps.fa...@gmail.com<mailto:maps.fa...@gmail.com>> wrote: Dear all, I'm processing my data with XDS and with DIALS and at first sight it would seem reasonable to assume that the Laue group is either orthorrombic or monoclinic. Autoprocessing brings me always to P212121, but I have tried also to solve the structure in space groups 1, 3, 4, 16, 17 and 18, without success. Pointless gives the following warning: WARNING: The data were integrated on a primitive lattice, but show some apparent features of a centered lattice of type I, Mean(E^2) for lattice absences = 1.15 However, it might be pseudo-centered, due to translational non-crystallographic symmetry Mn(I/sigI) for potentially absent reflections in the first 7 resolution bins = 4.76 is significantly above 0.0 Rough estimated probability of true centering = 0.714 NB: I lattice was chosen for further analysis rather than lattice type I Best Solution: space group P 21 21 21 Reindex operator: [h,k,l] Laue group probability: 0.762 Systematic absence probability: 0.682 Total probability: 0.520 Space group confidence: 0.478 Laue group confidence 0.702 However XDS doesn't give me option to choose any other lattices if not those in which I have already failed to solve the structure, those marked with starts that are consistent with the observed locations of the diffraction spots. So, I don't know what to do, I'm guessing it could be that it is C222, C2221 or C2 as well... but when I try space groups 5, 20 or 21 XDS gets stalled and DIALS can not proceed with the step of refinement. I'll be very thankful for any suggestions on how to continue on this venture... Have a nice weekend and a happy Easter! Best, Almudena ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ________________________________ UT Southwestern Medical Center The future of medicine, today. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
