| Autor: |
Hajizadeh NR; European Molecular Biology Laboratory (EMBL) Hamburg Outstation, DESY, Hamburg, Germany., Franke D; European Molecular Biology Laboratory (EMBL) Hamburg Outstation, DESY, Hamburg, Germany., Jeffries CM; European Molecular Biology Laboratory (EMBL) Hamburg Outstation, DESY, Hamburg, Germany., Svergun DI; European Molecular Biology Laboratory (EMBL) Hamburg Outstation, DESY, Hamburg, Germany. svergun@embl-hamburg.de. |
| Jazyk: |
angličtina |
| Zdroj: |
Scientific reports [Sci Rep] 2018 May 08; Vol. 8 (1), pp. 7204. Date of Electronic Publication: 2018 May 08. |
| DOI: |
10.1038/s41598-018-25355-2 |
| Abstrakt: |
Molecular mass (MM) is one of the key structural parameters obtained by small-angle X-ray scattering (SAXS) of proteins in solution and is used to assess the sample quality, oligomeric composition and to guide subsequent structural modelling. Concentration-dependent assessment of MM relies on a number of extra quantities (partial specific volume, calibrated intensity, accurate solute concentration) and often yields limited accuracy. Concentration-independent methods forgo these requirements being based on the relationship between structural parameters, scattering invariants and particle volume obtained directly from the data. Using a comparative analysis on 165,982 unique scattering profiles calculated from high-resolution protein structures, the performance of multiple concentration-independent MM determination methods was assessed. A Bayesian inference approach was developed affording an accuracy above that of the individual methods, and reports MM estimates together with a credibility interval. This Bayesian approach can be used in combination with concentration-dependent MM methods to further validate the MM of proteins in solution, or as a reliable stand-alone tool in instances where an accurate concentration estimate is not available. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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