Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Navdeep Sidhu
Dear Christian, Kleywegt (1996; "Use of Non-crystallographic Symmetry in Protein Structure Refinement." Acta Cryst D52, 842-857. DOI: 10.1107/S0907444995016477) reported that NCS-related molecules tend to be similar but differences in ligand binding do sometimes occur (cited Sevcik et al. 1996 in

Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Palm, Gottfried
Dear all,    the tenor seems to be, if you see the ligand in any of the monomers, that's the mode the ligand binds. We have seen other cases, though, too. Usually the protein I am thinking of (TetR(D)) crystallizes with one molecules /a.u. In solution it is an obligate dimer. The dimer is forme

Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Christian GALICIA
Hi Matthias, Thank you for response. Could you provide one or more pdb codes as example? Best, Christian *From:* Barone, Matthias *Subject:* [ccp4bb] ligand bound to only one chain in the crystal *Date:* Tuesday, October

Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Ian Tickle
Hi Christian I wouldn't worry: if the density is clear that nails it. You didn't say whether this is a soak or co-crystallization. I assume the former since you mention solvent channels. In my experience this is much more likely in the case of soaks, which can often (though not always) be ratio

Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Barone, Matthias
, 2020 11:19:23 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ligand bound to only one chain in the crystal Hello, In our structure only one chain in a crystallographic trimer (non-biological) shows a ligand bound to it (with clear density). There doesn't seem to be any channels (or lack of

[ccp4bb] AW: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Schreuder, Herman /DE
] ligand bound to only one chain in the crystal Hello, In our structure only one chain in a crystallographic trimer (non-biological) shows a ligand bound to it (with clear density). There doesn't seem to be any channels (or lack of them) favoring that specific site. Can the community give

Re: [ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Weiergräber , Oliver H .
== From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Christian GALICIA [christian.galicia.diaz.sant...@vub.be] Sent: 27 October 2020 11:19 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ligand bound to only one chain in the crystal Hello, In our structure only one chain in a

[ccp4bb] ligand bound to only one chain in the crystal

2020-10-27 Thread Christian GALICIA
Hello, In our structure only one chain in a crystallographic trimer (non-biological) shows a ligand bound to it (with clear density). There doesn't seem to be any channels (or lack of them) favoring that specific site. Can the community give your opinion on whether this can make the presence o