Ah, even though it seems a long time ago, approximately one out of every two referee comments that I receive complain about our modern methods for processing, scaling and reporting our data collection/processing/refinement statistics. I’m afraid it’s an ongoing effort at education.
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 [email protected]<mailto:[email protected]> (214) 645-6383 (phone) (214) 645-6353 (fax) On Apr 16, 2019, at 3:09 PM, Frank von Delft <[email protected]<mailto:[email protected]>> wrote: Jan, tell your reviewer to join us all in the 21st century. Diederichs and Karplus, Science, about 2 decades ago. (Technically, 2012<https://science.sciencemag.org/content/336/6084/1030?sid=8becd183-203a-4c7b-8c8d-815e18e15887>, but it really is a long long time ago now.) On 16/04/2019 18:06, Tim Gruene wrote: Dear Jan, You statistics look quite solid. R-factors are not good criteria to judge the resolution cut-off. The weighting schemes in refinement programs have much improved since the late 1990s. A good starting point to learn more is Rupp's "Against Method: Table 1 -Cui Bono?", https://doi.org/10.1016/j.str. 2018.04.013 Best regards, Tim On Tuesday, April 16, 2019 6:57:06 PM CEST Jan van Agthoven 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 ________________________________ 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
