Re: [ccp4bb] AW: [ccp4bb] Space group problem

2014-05-08 Thread Kay Diederichs
On Thu, 8 May 2014 16:56:01 +0200, Christophe Wirth wrote: >Dear all, > >To add another bit to the discussion, I would say that an increase of Rmerge >and Rmeas is just expected in such a case, isn't it? > >According to your tables, in P1, the multiplicity is about 4. In P2, it's >about 7. In

[ccp4bb] AW: [ccp4bb] Space group problem

2014-05-08 Thread Christophe Wirth
Dear all, To add another bit to the discussion, I would say that an increase of Rmerge and Rmeas is just expected in such a case, isn't it? According to your tables, in P1, the multiplicity is about 4. In P2, it's about 7. In P3, it's 10. And in P6, it's approaching 20. I would say that this le

[ccp4bb] AW: [ccp4bb] Space group problem

2014-05-08 Thread Herman . Schreuder
Dear Rain, Maybe a little late, but here are some more comments: 1) What is the deal? For me, one can only know the space group after the structure has been solved. I have seen quite few cases (e.g. twinning, non-crystallographic symmetry etc.) that all programs (XDS, pointless) and statistics

[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-02 Thread Herman . Schreuder
, assessment of the diffraction pattern etc. Best, Herman Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Nazia Nasir Phd2009,ProteinCrystall.Lab Gesendet: Dienstag, 1. April 2014 20:00 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] AW: [ccp4bb] Space group problem? Dear Jurgen, The

Re: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-01 Thread Chen Zhao
By the way, I have another question related to the number of sites. I just rethought about what Herman mentioned, and I just realized that the number of sites, at least strong sites, could be guessed from an anomalous Patterson map. Therefore I looked at the anomalous Patterson of my data. The map

Re: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-01 Thread Nazia Nasir Phd2009,ProteinCrystall.Lab
Dear Jurgen, The beam position is fine. we have collected many data sets before and after this data. Moreover, we the Technical scientist always checks the beam position before we mount the crystals. Thanks On Tue, Apr 1, 2014 at 11:23 PM, Jurgen Bosch wrote: > check your beam position > ..

Re: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-01 Thread Nazia Nasir Phd2009,ProteinCrystall.Lab
Dear all, I am just taking advantage of this particular thread to add my query also. I hope you don't mind Chen. We haven't solved any structure in our lab using SAD phasing, so pardon me for sounding naive. I have a 6.5 A data of anomalous scattering with a 3.5 A data using the Cu anode.My crys

Re: [ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-01 Thread Chen Zhao
Dear Herman, Thank you so much for your suggestions. The density that passes through the rotational axis is so strong and extended that can be considered as a significant portion of the molecule. However, some density in the middle might show some features. I have no experience and this could be o

[ccp4bb] AW: [ccp4bb] Space group problem?

2014-04-01 Thread Herman . Schreuder
Dear Chen, I am not an expert on SAD and MAD. However, at this stage I would not worry too much about density going through the 2-fold axis. There might be a sulfate ion or some other buffer component present at that position, or it may just be an artifact that will go away once the structure ha