Re: [ccp4bb] MR in P1 space group

2007-02-22 Thread Anastassis Perrakis
I would suggest that with 3.1 A data and only half of the scattering mass known, experimental phases would be an easier and better way to go than refining the molrep solution. Even sulphur phases could add if nicely measured, since you would find the S easily in the anomalous Fourier; but of

Re: [ccp4bb] MR in P1 space group

2007-02-21 Thread Miguel Ortiz-Lombardia
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Uhnsoo, AMoRe will not run the translation function for the **first** body (an hetero-dimer in your case) because in P1 the origin is arbitrary and hence fixed by the first rotation solution. Now, if you think that the first solution from the rotat

Re: [ccp4bb] MR in P1 space group

2007-02-21 Thread Mark A. White
Uhnsoo, Well you only have half of your 4-heterodimers, so your phases are poor, particularly for the missing 50% of your structure. DM and NCS averaging/solvent flattening will only work if the missing 50% can be properly masked. One possible out from this hole is to try RESOLVE. If you tell R

[ccp4bb] MR in P1 space group

2007-02-21 Thread ecoli72
Dear all, Recently, I've gotten a 3.1A data set with a P1 space group. Based on a Mattchew coefficient, I have 4 hetero-dimer molecules in one asymmetric unit. Because one of the dimers was known already, I tried MR with a program Phaser and molrep (Amore doesn't calculate a translation function