Modelling flexible Hetero-tetramer using EOM

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
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Joined: 2022.03.14 19:11

Modelling flexible Hetero-tetramer using EOM

#1 Post by Postdoc » 2022.03.14 23:34

Hello everyone,

I have SAXS data of a hetero-tetrameric complex (dimer of heterodimer) and the high-resolution crystal structure of one segment of the complex (only 50% of the residues).

The crystal structure has two monomeric chains (A and B) which interact in an anti-parallel orientation.
The Kratky plot of the SAXS data indicates that the tetrameric-complex is flexible in solution, so I want to model it using EOM.

I tried the following parameters
Overall symmetry: P7
Sequence: [entire protein]
Number of domains: 2
Domain 1: [A.pdb][fixed]
Domain 2: [B.pdb][fixed]

I keep getting the following error,

ERROR (ATOM NUMBER): atom entries in the multichain PDB do not match. Please make sure that all the chains have the same number of atoms.

I am a beginner with SAXS experiments so would appreciate any help.

Thanks in advance !

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