Re: [ccp4bb] AW: [ccp4bb] High R/Rfree

2017-11-14 Thread Eleanor Dodson
ag, 14. November 2017 00:45 > *An:* CCP4BB@JISCMAIL.AC.UK > *Betreff:* [EXTERNAL] [ccp4bb] High R/Rfree > > > > Hello All, > > > > I am currently working on the structure of a DNA protein complex. The > data has been processed in space group P1 (53.042 59.527 78.52

[ccp4bb] AW: [ccp4bb] High R/Rfree

2017-11-14 Thread Herman . Schreuder
problem there like streaks, ice rings etc. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Radhika Singh Gesendet: Dienstag, 14. November 2017 00:45 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] High R/Rfree Hello All, I am currently working on the

Re: [ccp4bb] High R/Rfree

2017-11-13 Thread Pavel Afonine
Hi Radhika, R-factor value is almost useless unless you know the resolution (which you did not tell us): 26% is ok for 3A resolution and is nonsense for 1A, for example. The Rfree-Rwork gap is obviously large, suggesting sub-optimal refinement strategy. Try optimizing weights, let program update (

[ccp4bb] High R/Rfree

2017-11-13 Thread Radhika Singh
Hello All, I am currently working on the structure of a DNA protein complex. The data has been processed in space group P1 (53.042 59.527 78.526 105.24 98.03 106.99 P 1, Rpim 11.7%). At this stage I have almost 85% model is complete but my R/Rfree is stuck as 26%/34%. I have some concerns a

Re: [ccp4bb] High R/Rfree after MR

2017-10-16 Thread Diana Tomchick
Paul Steven Miller (PhD) > >> Postdoctoral Researcher > >> University of Oxford > >> Wellcome Trust Centre for Human Genetics > >> Division of Structural Biology > >> Roosevelt Drive > >> Oxford > >> OX3 7BN > >> > >&

Re: [ccp4bb] High R/Rfree after MR

2017-10-14 Thread Eleanor Dodson
iso whether anisotropy can > cause this problem and whether there is any way around it. > > >> > > >> Cheers, Paul > > >> > > >> Paul Steven Miller (PhD) > > >> Postdoctoral Researcher > > >> University of Oxford > > &g

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Gerard Bricogne
und it. > >> > >> Cheers, Paul > >> > >> Paul Steven Miller (PhD) > >> Postdoctoral Researcher > >> University of Oxford > >> Wellcome Trust Centre for Human Genetics > >> Division of Structural Biology > >> R

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Gianluca Cioci
; >> Postdoctoral Researcher > >> University of Oxford > >> Wellcome Trust Centre for Human Genetics > >> Division of Structural Biology > >> Roosevelt Drive > >> Oxford > >> OX3 7BN > >> > >> > >> Original mes

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Randy Read
ty of Oxford >> Wellcome Trust Centre for Human Genetics >> Division of Structural Biology >> Roosevelt Drive >> Oxford >> OX3 7BN >> >> >> Original message >> >>> Date: Fri, 13 Oct 2017 10:30:22 +0200 >>> From: CCP4

[ccp4bb] AW: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Herman . Schreuder
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Gianluca Cioci Gesendet: Freitag, 13. Oktober 2017 10:30 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] High R/Rfree after MR Dear All, I am trying to refine a structure at 3.3A. Model has 60% identity to the target

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread vincent Chaptal
al message Date: Fri, 13 Oct 2017 10:30:22 +0200 From: CCP4 bulletin board (on behalf of Gianluca Cioci ) Subject: [ccp4bb] High R/Rfree after MR To: CCP4BB@JISCMAIL.AC.UK Dear All, I am trying to refine a structure at 3.3A. Model has 60% identity to the target. Maps look OK (for 3.

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Kay Diederichs
n Miller (PhD) >Postdoctoral Researcher >University of Oxford >Wellcome Trust Centre for Human Genetics >Division of Structural Biology >Roosevelt Drive >Oxford >OX3 7BN > > > Original message >>Date: Fri, 13 Oct 2017 10:30:22 +0200 >>From: CCP4 bulleti

Re: [ccp4bb] High R/Rfree after MR

2017-10-13 Thread Paul Miller
University of Oxford Wellcome Trust Centre for Human Genetics Division of Structural Biology Roosevelt Drive Oxford OX3 7BN Original message >Date: Fri, 13 Oct 2017 10:30:22 +0200 >From: CCP4 bulletin board (on behalf of Gianluca Cioci >) >Subject: [ccp4bb] High R/Rfree after MR

[ccp4bb] High R/Rfree after MR

2017-10-13 Thread Gianluca Cioci
Dear All, I am trying to refine a structure at 3.3A. Model has 60% identity to the target. Maps look OK (for 3.3A) and rebuilding in Coot is relatively straightforward. However, after some rebuilding cycles the R factors are stuck at 0.37/0.39 (REFMAC). XTRIAGE tells me that everything is normal (