[ccp4bb] too good R/Rfree with resolve

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Subject: Re: Placing an EM map in a large P1 box
From: Pietro Roversi pietro {- dot -} roversi {- at -} PATH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-03-28

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Subject: MolRep of coiled coils
From: Thomas Edwards T {- dot -} A {- dot -} Edwards {- at -} LEEDS {- dot -} AC {- dot -} UK
Date: 2008-03-28

Subject: too good R/Rfree with resolve
From: stefano ricagno ciciulus {- at -} HOTMAIL {- dot -} COM
Date: 2008-03-28

Dear CCP4bb readers,
this is my problem:
I solved a structure by MR: the solution was easily found (molrep, phaser and balbes found always the same one), density looked generally reasonable (however in several places it was dubious) but R/Rfree were stuck at 42/47%.
Then I tried some density modifications, resolve worked spectacularly the density became wonderful and several parts which were not in the model appeared.
So I finished to build the model and everything looked good.
The problem is now for a structure at 2.8 Å resolution I have R/Rfree of 8/9.5% respectively, which is clearly too good. Checking refmac log file it looked to me that refmac uses all the reflections in the .mtz file (that is as many reflections as before the resolve run).
Ideas?

thanks

Stefano

ps this is my last refmac:

2 mol in the AU, no NCS used, weighting term 0.01, no tls.

Ncyc Rfact Rfree FOM -LL -LLfree rmsBOND zBOND rmsANGL zANGL rmsCHIRAL $$
$$
0 0.0943 0.1051 0.937 102149. 5673.2 0.0070 0.298 1.202 0.546 0.077
1 0.0910 0.1024 0.940 101442. 5642.4 0.0058 0.252 1.091 0.481 0.073
2 0.0898 0.1019 0.940 101221. 5634.0 0.0055 0.238 1.061 0.461 0.072
3 0.0891 0.1016 0.941 101080. 5628.8 0.0052 0.226 1.045 0.451 0.072
4 0.0884 0.1011 0.942 100947. 5622.7 0.0050 0.217 1.033 0.445 0.071
5 0.0877 0.1006 0.942 100824. 5617.0 0.0049 0.211 1.024 0.440 0.071
6 0.0872 0.1001 0.943 100708. 5611.4 0.0047 0.205 1.016 0.436 0.070
7 0.0866 0.0997 0.943 100593. 5606.5 0.0047 0.202 1.008 0.432 0.070
8 0.0861 0.0992 0.944 100483. 5601.5 0.0046 0.199 1.002 0.429 0.069
9 0.0857 0.0989 0.944 100391. 5597.5 0.0045 0.196 0.996 0.426 0.069
10 0.0852 0.0985 0.944 100313. 5593.5 0.0045 0.193 0.990 0.423 0.068

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CCP4bb navigation

CCP4bb <-- 2008 <-- March 2008 <-- 28 March 2008

Previous message:
Subject: Re: Placing an EM map in a large P1 box
From: Pietro Roversi pietro {- dot -} roversi {- at -} PATH {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2008-03-28

Next message:
Subject: MolRep of coiled coils
From: Thomas Edwards T {- dot -} A {- dot -} Edwards {- at -} LEEDS {- dot -} AC {- dot -} UK
Date: 2008-03-28