Re: [ccp4bb] P212121 twinning

Hi, In the presence of tNCS, the normal moments tests can indeed be difficult to interpret: twinning makes the 2nd moments smaller, whereas tNCS makes them bigger. However, you can use Phaser to compensate for this effect, by characterising the tNCS and accounting for its statistical effect

Re: [ccp4bb] P212121 twinning

Certainly you may have a lower symmetry spacegroup, but with NC translation the twinning tests are a bit uncertain. Your moments seem too high, whereas twinning usually makes them too low. But we need to see the plots v resolutio which should be pretty linear.. Sometimes these go haywire at

Re: [ccp4bb] P212121 twinning

Hi Carmela, as Jacob suggests, the real space group may be P2 or P2(1). You need to prepare 3 MTZ files, each corresponding to a different unique b axis. So just run XDS 3 times, each time with JOB=CORRECT and SPACE_GROUP_NUMBER=3, and afterwards XDSCONV to create a MTZ file (or

Re: [ccp4bb] P212121 twinning

Try P2 SG’s. JPK From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Carmela Garcia Sent: Sunday, December 3, 2017 12:30 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] P212121 twinning Hi, The dimensions for a native are 58 103 220, with small differences for the

Re: [ccp4bb] P212121 twinning

Hi, The dimensions for a native are 58 103 220, with small differences for the derivatives. Best, Carmela. > On 3 Dec 2017, at 18:18, Sridhar Prasad wrote: > > Hello, > Can you please share the unit cell dimensions. > > Cheers, > Sridhar > > On Dec 3, 2017

[ccp4bb] P212121 twinning

Dear all, I know that some years ago a similar situation was discussed here, and I wonder if someone has new insights about these problems. My protein is a dimer in solution. I tried several derivatives for SAD, and all my datasets seem to have the same problem, including the native crystals.

Re: [ccp4bb] script for shape complementarity

how about modify your selected part of protein into two molecules | | Smith Liu | | 邮箱：smith_liu...@163.com | 签名由 网易邮箱大师 定制 在2017年12月03日 16:21，joy yang 写道： Dear All, can anyone shed a clue on how to define the suface area used in ccp4 sc (shape complementarity) script? The script

[ccp4bb] script for shape complementarity

Dear All, can anyone shed a clue on how to define the suface area used in ccp4 sc (shape complementarity) script? The script that I could find on internet is as following: sc XYZIN a22.pdb SURFIN1 A.grasp_surf SURFIN2 B.grasp_surf \ SURFOUT1 A.sc_surf SURFOUT2 B.sc_surf <