Re: [ccp4bb] R/Rfree problem

2012-01-19 Thread Anastassis Perrakis
Any crystal can be worked at as P1. What you know is that your crystal is not p212121 It can be P21212 P21221 P22121 P1121 P1211 P2111 P112 P121 P211 P1 And then there is twinning ... Suggestions: Use Pointless or Phenix.xtriage, feeding the unmerged p1 data to decide. Use the Zanuda serv

Re: [ccp4bb] R/Rfree problem

2012-01-19 Thread Garib N Murshudov
You can try zanuda from York's site. www.ysbl.york.ac.uk/YSBLPrograms/index.jsp It may help. It may be that you have a twinned crystal. As far as I know best available test for twinning is L-test (truncate produces this test). When you go from P1 to P212121 if L-test shows increased twinning

[ccp4bb] R/Rfree problem

2012-01-19 Thread 조기준
Dear all, I have a data, and it has R/Rfree problem. The data could be processed as P212121 and P1. The resolution was 2.9, and unit cell parameters were a=73.527, b=90.035, c=237.980, α=β=μ=90 and a=73.709, b=90.099, c=238.172, α=89.939, β=89.945, μ=89.993 for P212121 and P1, respectively.