Re: [ccp4bb] Rfactor does not drop

2007-02-21 Thread Karsten Suhre
Hi Tim, an R-factor of 0.64 does not sound like a solution. You may try submitting your problem to our automated MR server CaspR and see if something pops up : http://www.igs.cnrs-mrs.fr/Caspr2/ Kind regards, Karsten. On Monday 19 February 2007 17:15, [EMAIL PROTECTED] wrote: > I would take

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread Pavel Afonine
Hi Emmanuel, try MZ protocol (MZ = multi-zone) in phenix.refine. It does the smart rigid body refinement starting from a few low resolution reflections and ending up with using all data. In-between it does the maximum-likelihood bulk-solvent modeling and scaling. All together it results in a V

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread price
I would take a well-ordered helix out of your allegedly-correctly-placed model (BEFORE doing any refinement other than rigid body), phase a 2Fo-Fc and an Fo-Fc map with it, and see if the helix shows up. If it does, there is some reality in your solution. If it doesn't, start over from scratc

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread Eleanor Dodson
Just an aside to this - I have had R factors > 55% which then refine.. It is when they dont refine you are in trouble .. Eleanor Jiamu Du wrote: *Dear Prata:* First, I think you'd better check your subgroups. Maybe you got opposite hand of the data. Or change a model. When the Rfactor is ab

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread Tim Gruene
Hi, I dare say with an R-factor of 0.64, your MR solution is simply wrong. Just into the blue, you could 1) try various MR-programs (phaser, molrep, amore...) 2) try a different search model 3) try your best model but start with subdomains or chop off possibly flexible parts 4) have a look at

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread Jiamu Du
*Dear Prata:* First, I think you'd better check your subgroups. Maybe you got opposite hand of the data. Or change a model. When the Rfactor is above 0.55 after MR, I think it means nothing. On 2/16/07, Emmanuel Prata <[EMAIL PROTECTED]> wrote: Dear all, I have a data set of a protein soake

Re: [ccp4bb] Rfactor does not drop

2007-02-19 Thread venkataraman kabaleeswaran
Hey Emmanuel Typical R-factor for random structure will be above 57% and for initial MR model it will be somewhere between 40-50%. In your case, High R-factor might be due to many reasons. So check the data for any twining and also again check the Space group. Because sometime you will end up

[ccp4bb] Rfactor does not drop

2007-02-16 Thread Emmanuel Prata
Dear all, I have a data set of a protein soaked with sacarose, and the statistic data is good until the molecular replacement (Rmerge 0,07 (24%), I/Sigma 7 (2,7), completness (99,8 (98%)), and resolution 1,98A. After this step, I can not get the Rfactor (64%) to drop (I believe the spacegroup is