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TitleSmall angle X-ray scattering as a complementary tool for high-throughput structural studies.
Journal, issue, pagesBiopolymers, Vol. 95, Issue 8, Page 517-530, Year 2011
Publish dateApr 1, 2011
AuthorsThomas D Grant / Joseph R Luft / Jennifer R Wolfley / Hiro Tsuruta / Anne Martel / Gaetano T Montelione / Edward H Snell /
PubMed AbstractStructural crystallography and nuclear magnetic resonance (NMR) spectroscopy are the predominant techniques for understanding the biological world on a molecular level. Crystallography is constrained ...Structural crystallography and nuclear magnetic resonance (NMR) spectroscopy are the predominant techniques for understanding the biological world on a molecular level. Crystallography is constrained by the ability to form a crystal that diffracts well and NMR is constrained to smaller proteins. Although powerful techniques, they leave many soluble, purified structurally uncharacterized protein samples. Small angle X-ray scattering (SAXS) is a solution technique that provides data on the size and multiple conformations of a sample, and can be used to reconstruct a low-resolution molecular envelope of a macromolecule. In this study, SAXS has been used in a high-throughput manner on a subset of 28 proteins, where structural information is available from crystallographic and/or NMR techniques. These crystallographic and NMR structures were used to validate the accuracy of molecular envelopes reconstructed from SAXS data on a statistical level, to compare and highlight complementary structural information that SAXS provides, and to leverage biological information derived by crystallographers and spectroscopists from their structures. All the ab initio molecular envelopes calculated from the SAXS data agree well with the available structural information. SAXS is a powerful albeit low-resolution technique that can provide additional structural information in a high-throughput and complementary manner to improve the functional interpretation of high-resolution structures.
External linksBiopolymers / PubMed:21462184 / PubMed Central
MethodsSAS (X-ray synchrotron)
Structure data

SASDC96:
N-terminal domain of Diguanylate cyclase with PAS/PAC sensor (Maqu_2914) from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR66C
Method: SAXS/SANS

SASDCA6:
SirA-like protein (DSY4693) from Desulfitobacterium hafniense, Northeast Structural Genomics Consortium Target DhR2A
Method: SAXS/SANS

SASDCB6:
Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72
Method: SAXS/SANS

SASDCC6:
Sensory box domain of the sensory-box/GGDEF protein SO_1695 from Shewanella oneidensis, Northeast Structural Genomics Consortium Target SoR288B
Method: SAXS/SANS

SASDCD6:
MucBP domain of the adhesion protein PEPE_0118 from Pediococcus pentosaceus. Northeast Structural Genomics Consortium target id PtR41A
Method: SAXS/SANS

SASDCE6:
PAS domain of the protein CPS_1291 from Colwellia psychrerythraea. Northeast Structural Genomics Consortium target id CsR222B
Method: SAXS/SANS

SASDCF6:
HIT family hydrolase protein from Vibrio fischeri. Northeast Structural Genomics Consortium target id VfR176
Method: SAXS/SANS

SASDCG6:
EAL/GGDEF domain protein from M. capsulatus, Northeast Structural Genomics Consortium Target McR174C
Method: SAXS/SANS

SASDCH6:
GGDEF domain from Marinobacter aquaeolei diguanylate cyclase complexed with c-di-GMP - Northeast Structural Genomics Consortium Target MqR89a
Method: SAXS/SANS

SASDCJ6:
MmoQ Response regulator (fragment 20-298) from Methylococcus capsulatus str. Bath, Northeast Structural Genomics Consortium Target McR175G
Method: SAXS/SANS

SASDCK6:
Sheath tail protein (DSY3957) from Desulfitobacterium hafniense, Northeast Structural Genomics Consortium Target DhR18
Method: SAXS/SANS

Source
  • Marinobacter hydrocarbonoclasticus (strain atcc 700491 / dsm 11845 / vt8) (bacteria)
  • Desulfitobacterium hafniense (strain y51) (bacteria)
  • Nitrosospira multiformis (strain atcc 25196 / ncimb 11849 / c 71) (bacteria)
  • Shewanella oneidensis (strain mr-1) (bacteria)
  • Pediococcus pentosaceus (strain atcc 25745 / ccug 21536 / lmg 10740 / 183-1w) (bacteria)
  • Colwellia psychrerythraea (strain 34h / atcc baa-681) (bacteria)
  • Vibrio fischeri (strain atcc 700601 / es114) (bacteria)
  • Methylococcus capsulatus (strain atcc 33009 / ncimb 11132 / bath) (bacteria)
  • Methylococcus capsulatus (bacteria)

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