Browse by MODEL: Ab initio only

SASDNJ2 – Circadian clock KaiA-KaiB-KaiC ternary protein complex measured by SEC-SAXS

Circadian clock protein KaiACircadian clock protein KaiBCircadian clock protein kinase KaiC (S431D mutant) experimental SAS data
OTHER model
Sample: Circadian clock protein KaiA dodecamer, 393 kDa Synechococcus elongatus (strain … protein
Circadian clock protein KaiB hexamer, 71 kDa Synechococcus elongatus (strain … protein
Circadian clock protein kinase KaiC (S431D mutant) hexamer, 357 kDa Synechococcus elongatus (strain … protein
Buffer: 50 mM sodium phosphate buffer, 150 mM NaCl, 5 mM MgCl2, 0.5 mM EDTA, 1 mM ATP, 1 mM DTT, 50 mM arginine, 50 mM glutamine, pH: 7.8
Experiment: SAXS data collected at BL-10C, Photon Factory (PF), High Energy Accelerator Research Organization (KEK) on 2017 Dec 8
Overall structure of fully assembled cyanobacterial KaiABC circadian clock complex by an integrated experimental-computational approach. Commun Biol 5(1):184 (2022)
Yunoki Y, Matsumoto A, Morishima K, Martel A, Porcar L, Sato N, Yogo R, Tominaga T, Inoue R, Yagi-Utsumi M, Okuda A, Shimizu M, Urade R, Terauchi K, Kono H, Yagi H, Kato K, Sugiyama M
RgGuinier 7.0 nm
Dmax 24.5 nm
VolumePorod 1650 nm3

SASDNK2 – Circadian clock hKaiA-75dKaiB-75dKaiC ternary protein complex measured by SEC-SANS in 100% D2O

75% deuterated Circadian clock protein KaiBCircadian clock protein KaiA75% deuterated Circadian clock protein kinase KaiC (S431D mutant) experimental SAS data
OTHER model
Sample: 75% deuterated Circadian clock protein KaiB hexamer, 71 kDa Synechococcus elongatus (strain … protein
Circadian clock protein KaiA dodecamer, 393 kDa Synechococcus elongatus (strain … protein
75% deuterated Circadian clock protein kinase KaiC (S431D mutant) hexamer, 357 kDa Synechococcus elongatus (strain … protein
Buffer: 50 mM sodium phosphate buffer, 150 mm NaCl, 5 mM MgCl2, 0.5 mM EDTA, 1 mM ATP, 1 mM DTT, 50 mM arginine, 50 mM glutamine, in 100% D2O, pH: 7.8
Experiment: SANS data collected at D22, Institut Laue-Langevin (ILL) on 2018 Sep 19
Overall structure of fully assembled cyanobacterial KaiABC circadian clock complex by an integrated experimental-computational approach. Commun Biol 5(1):184 (2022)
Yunoki Y, Matsumoto A, Morishima K, Martel A, Porcar L, Sato N, Yogo R, Tominaga T, Inoue R, Yagi-Utsumi M, Okuda A, Shimizu M, Urade R, Terauchi K, Kono H, Yagi H, Kato K, Sugiyama M
RgGuinier 7.8 nm
Dmax 25.6 nm
VolumePorod 1620 nm3

SASDLV2 – Accessory colonization factor SslE at pH 7.4

Accessory colonization factor experimental SAS data
DAMMIN model
Sample: Accessory colonization factor monomer, 160 kDa Escherichia coli (strain … protein
Buffer: 20 mM citrate-phosphate buffer, 200 mM NaCl, pH: 7.4
Experiment: SAXS data collected at B21, Diamond Light Source on 2019 Jul 27
Molecular and cellular insight into Escherichia coli SslE and its role during biofilm maturation npj Biofilms and Microbiomes 8(1) (2022)
Corsini P, Wang S, Rehman S, Fenn K, Sagar A, Sirovica S, Cleaver L, Edwards-Gayle C, Mastroianni G, Dorgan B, Sewell L, Lynham S, Iuga D, Franks W, Jarvis J, Carpenter G, Curtis M, Bernadó P, Darbari V, Garnett J
RgGuinier 4.0 nm
Dmax 14.1 nm
VolumePorod 244 nm3

SASDLW2 – Accessory colonization factor SslE at pH 4.4

Accessory colonization factor experimental SAS data
DAMMIN model
Sample: Accessory colonization factor monomer, 160 kDa Escherichia coli (strain … protein
Buffer: 20 mM citrate-phosphate buffer, 200 mM NaCl, pH: 4.4
Experiment: SAXS data collected at B21, Diamond Light Source on 2019 Jul 27
Molecular and cellular insight into Escherichia coli SslE and its role during biofilm maturation npj Biofilms and Microbiomes 8(1) (2022)
Corsini P, Wang S, Rehman S, Fenn K, Sagar A, Sirovica S, Cleaver L, Edwards-Gayle C, Mastroianni G, Dorgan B, Sewell L, Lynham S, Iuga D, Franks W, Jarvis J, Carpenter G, Curtis M, Bernadó P, Darbari V, Garnett J
RgGuinier 3.9 nm
Dmax 13.7 nm
VolumePorod 248 nm3

SASDMU6 – The N1 domain of accessory colonization factor SslE

Accessory colonization factor experimental SAS data
DAMFILT model
Sample: Accessory colonization factor monomer, 17 kDa Escherichia coli (strain … protein
Buffer: 20 mM Tris, 200 mM NaCl, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2021 Apr 21
Molecular and cellular insight into Escherichia coli SslE and its role during biofilm maturation npj Biofilms and Microbiomes 8(1) (2022)
Corsini P, Wang S, Rehman S, Fenn K, Sagar A, Sirovica S, Cleaver L, Edwards-Gayle C, Mastroianni G, Dorgan B, Sewell L, Lynham S, Iuga D, Franks W, Jarvis J, Carpenter G, Curtis M, Bernadó P, Darbari V, Garnett J
RgGuinier 2.0 nm
Dmax 7.0 nm
VolumePorod 28 nm3

SASDMV6 – The N2 domain of accessory colonization factor SslE

Accessory colonization factor experimental SAS data
DAMFILT model
Sample: Accessory colonization factor monomer, 23 kDa Escherichia coli (strain … protein
Buffer: 20 mM Tris, 200 mM NaCl, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2021 Apr 21
Molecular and cellular insight into Escherichia coli SslE and its role during biofilm maturation npj Biofilms and Microbiomes 8(1) (2022)
Corsini P, Wang S, Rehman S, Fenn K, Sagar A, Sirovica S, Cleaver L, Edwards-Gayle C, Mastroianni G, Dorgan B, Sewell L, Lynham S, Iuga D, Franks W, Jarvis J, Carpenter G, Curtis M, Bernadó P, Darbari V, Garnett J
RgGuinier 2.2 nm
Dmax 7.7 nm
VolumePorod 42 nm3

SASDMW6 – The N3-M60 domain of accessory colonization factor SslE

Accessory colonization factor experimental SAS data
DAMFILT model
Sample: Accessory colonization factor monomer, 121 kDa Escherichia coli (strain … protein
Buffer: 20 mM Tris, 200 mM NaCl, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2021 Apr 21
Molecular and cellular insight into Escherichia coli SslE and its role during biofilm maturation npj Biofilms and Microbiomes 8(1) (2022)
Corsini P, Wang S, Rehman S, Fenn K, Sagar A, Sirovica S, Cleaver L, Edwards-Gayle C, Mastroianni G, Dorgan B, Sewell L, Lynham S, Iuga D, Franks W, Jarvis J, Carpenter G, Curtis M, Bernadó P, Darbari V, Garnett J
RgGuinier 3.4 nm
Dmax 10.5 nm
VolumePorod 171 nm3

SASDPL8 – Molecular brush (PiPOx239-g-PnPrOx14) in a good solvent at concentration c=1.25 mg/mL

PiPOx239-g-PnPrOx14 experimental SAS data
DAMMIF model
Sample: PiPOx239-g-PnPrOx14 monomer, 413 kDa
Buffer: ethanol, pH: 7.3
Experiment: SAXS data collected at EMBL P12, PETRA III on 2021 Jun 12
Rigid-to-Flexible Transition in a Molecular Brush in a Good Solvent at a Semidilute Concentration Langmuir 38(17):5226-5236 (2022)
Kang J, Sachse C, Ko C, Schroer M, Vela S, Molodenskiy D, Kohlbrecher J, Bushuev N, Gumerov R, Potemkin I, Jordan R, Papadakis C
RgGuinier 11.2 nm
Dmax 37.6 nm

SASDPM8 – Molecular brush (PiPOx239-g-PnPrOx14) in a good solvent at concentration c=10 mg/mL

PiPOx239-g-PnPrOx14 experimental SAS data
DAMMIF model
Sample: PiPOx239-g-PnPrOx14 monomer, 413 kDa
Buffer: ethanol, pH: 7.3
Experiment: SAXS data collected at EMBL P12, PETRA III on 2021 Jun 12
Rigid-to-Flexible Transition in a Molecular Brush in a Good Solvent at a Semidilute Concentration Langmuir 38(17):5226-5236 (2022)
Kang J, Sachse C, Ko C, Schroer M, Vela S, Molodenskiy D, Kohlbrecher J, Bushuev N, Gumerov R, Potemkin I, Jordan R, Papadakis C
RgGuinier 8.6 nm
Dmax 34.3 nm

SASDPN8 – Molecular brush (PiPOx239-g-PnPrOx14) in a good solvent at concentration c=46 mg/mL

PiPOx239-g-PnPrOx14 experimental SAS data
DAMMIF model
Sample: PiPOx239-g-PnPrOx14 monomer, 413 kDa
Buffer: ethanol, pH: 7.3
Experiment: SAXS data collected at EMBL P12, PETRA III on 2021 Jun 12
Rigid-to-Flexible Transition in a Molecular Brush in a Good Solvent at a Semidilute Concentration Langmuir 38(17):5226-5236 (2022)
Kang J, Sachse C, Ko C, Schroer M, Vela S, Molodenskiy D, Kohlbrecher J, Bushuev N, Gumerov R, Potemkin I, Jordan R, Papadakis C
RgGuinier 7.2 nm
Dmax 18.5 nm