Re: [ccp4bb] wrong space group or wrong refinement strategy

2012-12-01 Thread Randy Read
If that solution applies to the original model you used (and not to re-solving the structure with the molecular replacement solution before or after refinement), then your tetramer model is just being rotated by 90 degrees around the 4-fold and placed on a different origin, i.e. the solution is

Re: [ccp4bb] wrong space group or wrong refinement strategy

2012-11-30 Thread vellieux
Hello, What about the enantiomorphic space groups (the 4(3) screw axes instead of the 4(1) screw axes) ? These cannot be distinguised on the basis of structure factor amplitudes (unless you have an anomalous scatterer) nor on the basis of the specific extinctions (both screw axes extinguish th

[ccp4bb] wrong space group or wrong refinement strategy

2012-11-30 Thread ruisher hu
Hi, Dear CCP4 group, I recently collect one dataset and indexed as P4 space group. When I try to do MR with a tetramer as input, I found the solution file suggested P41. SOLU SET RFZ=5.2 TFZ=10.3 PAK=0 LLG=239 LLG=366 TFZ==20.9 SOLU SPAC P 41 SOLU 6DIM ENSE ensemble1 EULER 50.265 0.217 219.800