Hi, No-one else seems to have said this, but just from the data in that table, if I were a referee I would almost certainly be asking why you seem to have discarded useful data at higher resolution than 3.1A!
Best wishes, Randy Read > On 16 Apr 2019, at 20:59, Jan van Agthoven <janc...@gmail.com> wrote: > > Dear all, > > The last resolution shell is 3.1-3.2 Å. I corrected high resolution Rmerge > and Rmeas which seemed truncated, and added cc1/2. Rsym is Rpim which was a > typo. > > Resolution range (Å) 49.2-3.1 > 49.3-3.1 > Rfactor (%) 24.0 (32.4) > 23.4 (32.0) > Rfree (%) 26.6 (29.2) > 26.3 (31.6) > > Data collection > Completeness 100 (100) > 100 (100) > > Redundancy 6.9 (7.0) > 6.2 (6.3) > > Molecules in asymmetric unit 1 > 1 > > Average I/σ 14.1 (1.7) > 15.3 (2.0) > > Rmerge (%) 14.9 (169.4) > 12.7 (131.8) > > Rmeas (%) 16.2 (183.2) > 13.9 (143.9) > > Rpim (%) 6.2 (68.6) > 5.5 (57.1) > Wilson B-factor 65.6 > 62.7 > > cc1/2 0.997 (0.561) > 0.998 (0.616) > > >> On Apr 16, 2019, at 2:21 PM, Diana Tomchick >> <diana.tomch...@utsouthwestern.edu >> <mailto:diana.tomch...@utsouthwestern.edu>> wrote: >> >> Why are the the values for R(free) in parentheses higher than R(factor) in >> parentheses? I would not expect that to happen, if the same resolution >> limits for the last shell are used for both values. And I echo the previous >> commentator, please provide the resolution limits for the values in >> parentheses. >> >> What exactly is R(factor) in this case? The R(work), or the [R(work) + >> R(free)]? Please define. >> >> 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 16, 2019, at 11:57 AM, Jan van Agthoven <janc...@gmail.com >> <mailto:janc...@gmail.com>> wrote: >> >> Hi everyone, >> I’m trying to publish two structures at 3.1Å resolution with the following >> refinement statistics: >> >> Resolution range (Å) 49.2-3.1 >> 49.3-3.1 >> Rfactor (%) 24.0 (32.4) >> 23.4 (32.0) >> Rfree (%) 26.6 (29.2) >> 26.3 (31.6) >> >> Data collection >> Completeness 100 (100) >> 100 (100) >> >> Redundancy 6.9 (7.0) >> 6.2 (6.3) >> >> Molecules in asymmetric unit 1 >> 1 >> >> Average I/σ 14.1 (1.7) >> 15.3 (2.0) >> >> Rmerge (%) 14.9 (100) >> 12.7 (100) >> >> Rmeas (%) 16.2 (100) >> 13.9 (100) >> >> Rsym (%) 6.2 (68.6) >> 5.5 (57.1) >> Wilson B-factor 65.6 >> 62.7 >> >> I’ve been told that the Rfree factor in the last shell are too high. Does >> anyone know how I can improve these Rfree factors other then cutting the >> resolution, which already is rather low? >> >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> <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 > <https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1> ------ 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/webadmin?SUBED1=CCP4BB&A=1
