Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-15 Thread Eleanor Dodson
gt; --------------------- > > > TWINNING SUMMARY > > > Twinning fraction from H-test: 0.42 > > Twinning fraction from L-Test: 0.18 > > > It is highly probable that your crystal is TWINN

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Alex Lee
his (if not, then not >> a “good reviewer.”) >> >> >> >> JPK >> >> >> >> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of >> *Alex Lee >> *Sent:* Friday, April 14, 2017 11:50 AM >> >> *To:* CCP4BB@

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Keller, Jacob
not a “good reviewer.”) JPK From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>] On Behalf Of Alex Lee Sent: Friday, April 14, 2017 11:50 AM To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] Refmac5 twin refinement pushing

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Eleanor Dodson
eviewer will have you do this (if not, then not >> a “good reviewer.”) >> >> >> >> JPK >> >> >> >> *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of >> *Alex Lee >> *Sent:* Friday, April 14, 2017 11:50 AM >

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Eleanor Dodson
017 11:50 AM > > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Refmac5 twin refinement pushing Rfree > surprisingly down > > > > Thanks Eleanor, I tried MR for P32 21 and P32 12. > > SG P3221: SOLU SET RFZ=5.3 TFZ=8.8 PAK=0 LLG=121 TFZ==11.2 LLG=944 > TFZ==29.2 P

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Keller, Jacob
@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down Thanks Eleanor, I tried MR for P32 21 and P32 12. SG P3221: SOLU SET RFZ=5.3 TFZ=8.8 PAK=0 LLG=121 TFZ==11.2 LLG=944 TFZ==29.2 PAK=0 LLG=944 TFZ==29.2 SOLU SPAC P 32 2 1 SG P3212: Solution #1 annotation

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Alex Lee
just try with the >> higher-symmetry point group first, see what happens. >> >> >> >> JPK >> >> >> >> *From:* Alex Lee [mailto:alexlee198...@gmail.com] >> *Sent:* Thursday, April 13, 2017 11:32 PM >> >> *To:* Keller, Jacob >> *Cc:*

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-14 Thread Eleanor Dodson
; > *To:* Keller, Jacob > *Cc:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Refmac5 twin refinement pushing Rfree > surprisingly down > > > > Hi Keller, > > > > Thanks for the suggestions! I only have two copies in ASU at SG P32. > Zanuda also suggests P32 i

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Keller, Jacob
-symmetry point group first, see what happens. JPK From: Alex Lee [mailto:alexlee198...@gmail.com] Sent: Thursday, April 13, 2017 11:32 PM To: Keller, Jacob Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down Hi Keller, Thanks for the suggestions

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Alex Lee
hese types of > things! > > > > JPK > > > > *From:* Alex Lee [mailto:alexlee198...@gmail.com] > *Sent:* Thursday, April 13, 2017 9:08 PM > *To:* Keller, Jacob > *Cc:* CCP4BB@JISCMAIL.AC.UK > > *Subject:* Re: [ccp4bb] Refmac5 twin refinement pushing Rfree &g

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Keller, Jacob
works out—I am interested in these types of things! JPK From: Alex Lee [mailto:alexlee198...@gmail.com] Sent: Thursday, April 13, 2017 9:08 PM To: Keller, Jacob Cc: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down Hi Keller, I do not how to check

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Alex Lee
://doi.org/10.1107/S2059798316019318 > > > > Jacob > > > > *From:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *On Behalf Of > *Eleanor > Dodson > *Sent:* Thursday, April 13, 2017 3:11 PM > *To:* CCP4BB@JISCMAIL.AC.UK > *Subject:* Re: [ccp4bb] Refmac5 twin refinem

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Keller, Jacob
f Of Eleanor Dodson Sent: Thursday, April 13, 2017 3:11 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down Twin refinement cannot be compared directly to untwinned - the R factors are between different parameters - without twinning it is assumed

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Eleanor Dodson
3 april 2017 19:19 > *Aan: *CCP4BB@JISCMAIL.AC.UK > *Onderwerp: *[ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly > down > > > Dear All, > > I have a protein/dna complex crystal and data collected at 3A and another > set at 2.8A, space group P32. L test sh

Re: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Robbie Joosten
fraction. Cheers, Robbie Sent from my Windows 10 phone Van: Alex Lee<mailto:alexlee198...@gmail.com> Verzonden: donderdag 13 april 2017 19:19 Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Onderwerp: [ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down Dear Al

[ccp4bb] Refmac5 twin refinement pushing Rfree surprisingly down

2017-04-13 Thread Alex Lee
Dear All, I have a protein/dna complex crystal and data collected at 3A and another set at 2.8A, space group P32. L test shows twinning (fraction around 0.11). The structure solved by MR and model building of the complex finish (no solvent built yet, I do not think it's good to build solvent in su