Re: [ccp4bb] Rfactors stuck very high

2012-07-09 Thread Garnett, James A
] Rfactors stuck very high Dear James It seems that at this stage you may not be able to distinguish between these space groups. As I see they are subgroup of each other (more precisely P1 < C2 < I222 with the cell parameters you have) and it would not be easy to find out the exact space group a

Re: [ccp4bb] Rfactors stuck very high

2012-07-09 Thread Garib N Murshudov
Dear James It seems that at this stage you may not be able to distinguish between these space groups. As I see they are subgroup of each other (more precisely P1 < C2 < I222 with the cell parameters you have) and it would not be easy to find out the exact space group at this stage. Highest spac

Re: [ccp4bb] Rfactors stuck very high

2012-07-08 Thread James Garnett
Dear Nat, thanks for the response. 1) We are very sure the protein crystallized is our protein (very pure reagent and also verified by washing then dissolving xstals and running SDS-PAGE). 2) I have tried some omit maps and depending which regions are removed, they generally come back in the

Re: [ccp4bb] Rfactors stuck very high

2012-07-08 Thread Nat Echols
On Sun, Jul 8, 2012 at 2:11 PM, James Garnett wrote: > I have found a molecular replacement solution in I212121 using an NMR > structure of the same protein and MR-ROSETTA/PHENIX (PHASER LLG=128 > TFZ=12.3), although I can not refine this below R ~45% and Rfree ~50%. The > maps look OK in parts

[ccp4bb] Rfactors stuck very high

2012-07-08 Thread James Garnett
Dear all, I have some troublesome data to ~2.3A and I hope someone can help. My data indexes and scales equally well in I222, C2 and P1 I222 a=46.3 b=76.3 c=81.1 C2 a=111.3 b=46.3 c=76.3 beta=133.2 (reset in I2 a=76.3 b=46.3 c=81.1 beta=90.1) C2 a=94.5 b=76.3 c=46.3 beta=119.6 (reset i