map to model - DNA model building
Hello, I am trying to fit a cryo-EM map of a DNA protein complex (3.3 A) using the map to model in Phenix 1.18.2.3874, with a DNA sequence input in fasta format and the map as a .ccp4 file. However the output model fitted in the map I am getting is many fragmented PDB files and only one chain of DNA. What is the best way to get a higher fraction of the DNA model fitted into the map, can I switch off the segmentation of map and get both strands fitted into the map. Or the only option is to manually build? Thanks for your help Regards Manoj Saxena
Hi Manoj,
At a resolution of 3.3 A map_to_model is supposed to be able to build
regular DNA structures reasonably well, so it is worth trying a few things
to see if it can work better.
If you want only the DNA to be built by map_to_model then you do need to
tell map_to_model the solvent_content:
Usually it figures this out from the sequence file, but yours will only
represent a part of the model so you should specify it directly. This
could have an effect but perhaps not huge.
Another thing to try is to cut out the density for a part of your DNA
chains and just work with that. Map_to_model can work with a part of a map
just fine. So try this: find your best double-stranded DNA regular helix
and cut it out with map_box to make a small map. Now try to build with that
map. If it doesn't work, you can send me this small map and I'll have a
look. If it does work, you can make a few overlapping boxes and build up
overlapping parts of the molecule. Then you can combine them all with
phenix.combine_models and a map that covers all of them.
Let me know if these things don't help!
All the best,
Tom T
On Tue, Aug 4, 2020 at 3:19 AM Manoj saxena
Hello, I am trying to fit a cryo-EM map of a DNA protein complex (3.3 A) using the map to model in Phenix 1.18.2.3874, with a DNA sequence input in fasta format and the map as a .ccp4 file. However the output model fitted in the map I am getting is many fragmented PDB files and only one chain of DNA. What is the best way to get a higher fraction of the DNA model fitted into the map, can I switch off the segmentation of map and get both strands fitted into the map. Or the only option is to manually build? Thanks for your help Regards Manoj Saxena _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0010
Hi Manoj, I forgot to mention...if you cut out just a small piece of a map with map_box and run map_to_model, be sure to specify: segment=False asymmetric_map=True so that it knows what to do with this piece of the map. All the best, Tom T On Tue, Aug 4, 2020 at 5:53 AM Tom Terwilliger < [email protected]> wrote:
Hi Manoj,
At a resolution of 3.3 A map_to_model is supposed to be able to build regular DNA structures reasonably well, so it is worth trying a few things to see if it can work better.
If you want only the DNA to be built by map_to_model then you do need to tell map_to_model the solvent_content: Usually it figures this out from the sequence file, but yours will only represent a part of the model so you should specify it directly. This could have an effect but perhaps not huge.
Another thing to try is to cut out the density for a part of your DNA chains and just work with that. Map_to_model can work with a part of a map just fine. So try this: find your best double-stranded DNA regular helix and cut it out with map_box to make a small map. Now try to build with that map. If it doesn't work, you can send me this small map and I'll have a look. If it does work, you can make a few overlapping boxes and build up overlapping parts of the molecule. Then you can combine them all with phenix.combine_models and a map that covers all of them.
Let me know if these things don't help!
All the best, Tom T
On Tue, Aug 4, 2020 at 3:19 AM Manoj saxena
wrote: Hello, I am trying to fit a cryo-EM map of a DNA protein complex (3.3 A) using the map to model in Phenix 1.18.2.3874, with a DNA sequence input in fasta format and the map as a .ccp4 file. However the output model fitted in the map I am getting is many fragmented PDB files and only one chain of DNA. What is the best way to get a higher fraction of the DNA model fitted into the map, can I switch off the segmentation of map and get both strands fitted into the map. Or the only option is to manually build? Thanks for your help Regards Manoj Saxena _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0010
-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0010
participants (2)
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Manoj saxena
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Tom Terwilliger