Browse by DISSEMINATION: Published

SASDNX4 – Gram-negative bacteria lipid membrane mimic deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol sodium salt, WLBU2 experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol sodium salt, WLBU2, synthetic construct lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNY4 – Gram-positive bacteria lipid membrane mimic deposited onto silicon wafer (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos, lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNZ4 – Gram-positive bacteria lipid membrane mimic deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos, synthetic construct lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDN25 – Lipopolysaccharide outer membrane of the Gram-negative bacteria Pseudomonas aeruginosa deposited onto silicon wafer (oriented sample anisotropic scattering, LPS control)

Lipopolysaccharide experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Lipopolysaccharide, Pseudomonas aeruginosa lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Jun 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDN35 – Lipopolysaccharide outer membrane of the Gram-negative bacteria Pseudomonas aeruginosa deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (LPS-WLBU2, oriented sample anisotropic scattering)

Lipopolysaccharide plus WLBU2 experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Lipopolysaccharide plus WLBU2 dimer, Pseudomonas aeruginosa lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Jun 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDMX7 – Human histone deacetylase 6

Histone deacetylase 6 experimental SAS data
Human histone deacetylase 6 Rg histogram
Sample: Histone deacetylase 6 monomer, 131 kDa Homo sapiens protein
Buffer: 30 mM HEPES, 140 mM NaCl, 10 mM KCl, 0.25 mM TCEP, pH: 7.4
Experiment: SAXS data collected at EMBL P12, PETRA III on 2019 Dec 10
In-solution structure and oligomerization of human histone deacetylase 6 - an integrative approach. FEBS J (2022)
Shukla S, Komarek J, Novakova Z, Nedvedova J, Ustinova K, Vankova P, Kadek A, Uetrecht C, Mertens H, Barinka C
RgGuinier 7.0 nm
Dmax 26.0 nm
VolumePorod 316 nm3

SASDNM7 – Protease 1 from Pyrococcus horikoshii (PhP1) in Gd-HPDO3A

Deglycase PH1704 experimental SAS data
OTHER model
Sample: Deglycase PH1704 hexamer, 112 kDa Pyrococcus horikoshii (strain … protein
Buffer: 20 mM Tris pH 7.5, 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at SWING, SOLEIL on 2016 Jun 7
Medical contrast agents as promising tools for biomacromolecular SAXS experiments. Acta Crystallogr D Struct Biol 78(Pt 9):1120-1130 (2022)
Gabel F, Engilberge S, Schmitt E, Thureau A, Mechulam Y, Pérez J, Girard E
RgGuinier 3.2 nm
Dmax 9.2 nm
VolumePorod 140 nm3

SASDNN7 – Protease 1 from Pyrococcus horikoshii (PhP1) in iohexol

Deglycase PH1704 experimental SAS data
OTHER model
Sample: Deglycase PH1704 hexamer, 112 kDa Pyrococcus horikoshii (strain … protein
Buffer: 20 mM Tris pH 7.5 and 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at SWING, SOLEIL on 2016 Nov 26
Medical contrast agents as promising tools for biomacromolecular SAXS experiments. Acta Crystallogr D Struct Biol 78(Pt 9):1120-1130 (2022)
Gabel F, Engilberge S, Schmitt E, Thureau A, Mechulam Y, Pérez J, Girard E
RgGuinier 3.2 nm
Dmax 9.2 nm
VolumePorod 140 nm3

SASDNP7 – Translation initiation factor 2 (aIF2)-tRNA complex in Gd-HPDO3A

Translation initiation factor 2 subunit gammaTranslation initiation factor 2 subunit alphatransfer RNA experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Translation initiation factor 2 subunit gamma monomer, 46 kDa Saccharolobus solfataricus (strain … protein
Translation initiation factor 2 subunit alpha monomer, 10 kDa Saccharolobus solfataricus (strain … protein
Transfer RNA monomer, 23 kDa Escherichia coli RNA
Buffer: 10 mM MOPS- NaOH pH 6.7, 200 mM NaCl, 5 mM MgCl 2, 1 mM GDPNP, pH: 6.7
Experiment: SAXS data collected at SWING, SOLEIL on 2016 Nov 26
Medical contrast agents as promising tools for biomacromolecular SAXS experiments. Acta Crystallogr D Struct Biol 78(Pt 9):1120-1130 (2022)
Gabel F, Engilberge S, Schmitt E, Thureau A, Mechulam Y, Pérez J, Girard E
RgGuinier 3.6 nm
Dmax 13.0 nm
VolumePorod 102 nm3

SASDPA4 – SAXS data for the trimeric C-phycocyanin

C-phycocyanin alpha subunitC-phycocyanin beta subunit experimental SAS data
GASBOR model
Sample: C-phycocyanin alpha subunit trimer, 53 kDa Arthrospira platensis protein
C-phycocyanin beta subunit trimer, 54 kDa Arthrospira platensis protein
Buffer: 150 mM NaCl, 20 mM Tris, pH: 7.6
Experiment: SAXS data collected at Rigaku MicroMax 007-HF, Moscow Institute of Physics and Technology (MIPT) on 2022 Apr 14
Anti-Stokes fluorescence excitation reveals conformational mobility of the C-phycocyanin chromophores Structural Dynamics 9(5):054701 (2022)
Tsoraev G, Protasova E, Klimanova E, Ryzhykau Y, Kuklin A, Semenov Y, Ge B, Li W, Qin S, Friedrich T, Sluchanko N, Maksimov E
RgGuinier 3.9 nm
Dmax 13.2 nm
VolumePorod 154 nm3