Small Angle Scattering Biological Data Bank SASBDB

SASDKT5 – RNA Short Tetraloop Hairpin Triplex in 200 mM KCl

RNA Short Tetraloop Hairpin Triplex experimental SAS data

RNA Short Tetraloop Hairpin Triplex Kratky plot

Sample:	RNA Short Tetraloop Hairpin Triplex monomer, 17 kDa RNA
Buffer:	200 mM KCl, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	1.9	nm
D_max	6.6	nm

SASDKU5 – RNA Short Tetraloop Hairpin Triplex in 5 mM MgCl2

RNA Short Tetraloop Hairpin Triplex experimental SAS data

RNA Short Tetraloop Hairpin Triplex Kratky plot

Sample:	RNA Short Tetraloop Hairpin Triplex monomer, 17 kDa RNA
Buffer:	5 mM MgCl2, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.2	nm
D_max	10.2	nm

SASDKV5 – RNA Long Tetraloop Hairpin Duplex in 200 mM NaCl

RNA Long Tetraloop Hairpin Duplex experimental SAS data

RNA Long Tetraloop Hairpin Duplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Duplex monomer, 21 kDa RNA
Buffer:	200 mM NaCl, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.7	nm
D_max	9.8	nm

SASDKW5 – RNA Long Tetraloop Hairpin Duplex in 200 mM KCl

RNA Long Tetraloop Hairpin Duplex experimental SAS data

RNA Long Tetraloop Hairpin Duplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Duplex monomer, 21 kDa RNA
Buffer:	200 mM KCl, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.9	nm
D_max	10.0	nm

SASDKX5 – RNA Long Tetraloop Hairpin Duplex in 5 mM MgCl2

RNA Long Tetraloop Hairpin Duplex experimental SAS data

RNA Long Tetraloop Hairpin Duplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Duplex monomer, 21 kDa RNA
Buffer:	5 mM MgCl2, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.9	nm
D_max	10.3	nm

SASDKY5 – RNA Long Tetraloop Hairpin Triplex in 200 mM NaCl

RNA Long Tetraloop Hairpin Triplex experimental SAS data

RNA Long Tetraloop Hairpin Triplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Triplex monomer, 28 kDa RNA
Buffer:	200 mM NaCl, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.7	nm
D_max	10.3	nm

SASDKZ5 – RNA Long Tetraloop Hairpin Triplex in 200 mM KCl

RNA Long Tetraloop Hairpin Triplex experimental SAS data

RNA Long Tetraloop Hairpin Triplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Triplex monomer, 28 kDa RNA
Buffer:	200 mM KCl, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.8	nm
D_max	10.3	nm

SASDK26 – RNA Long Tetraloop Hairpin Triplex in 5 mM MgCl2

RNA Long Tetraloop Hairpin Triplex experimental SAS data

RNA Long Tetraloop Hairpin Triplex Kratky plot

Sample:	RNA Long Tetraloop Hairpin Triplex monomer, 28 kDa RNA
Buffer:	5 mM MgCl2, 20 mM Na-MES, 50 μM EDTA, pH: 5.5
Experiment:	SAXS data collected at 16-ID (LiX), National Synchrotron Light Source II (NSLS-II) on 2019 Sep 20

RNA triplex structures revealed by WAXS-driven MD simulations (2022)
Chen Y, He W, Kirmizialtin S, Pollack L

R_g^Guinier	2.9	nm
D_max	18.2	nm

SASDL87 – Plasmodium falciparum Glycogen Synthase Kinase 3 - Ion Exchange Chromatography Fraction 4

Glycogen synthase kinase 3 experimental SAS data

CORAL model

Sample:	Glycogen synthase kinase 3 monomer, 52 kDa Plasmodium falciparum (isolate … protein
Buffer:	20 mM Tris pH 8.0, 100 mM NaCl, 0.5 mM TCEP, pH: 8
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2020 Nov 19

N-terminal phosphorylation regulates the activity of glycogen synthase kinase 3 from Plasmodium falciparum. Biochem J 479(3):337-356 (2022)
Pazicky S, Alder A, Mertens H, Svergun D, Gilberger T, Löw C

R_g^Guinier	3.2	nm
D_max	11.6	nm
Volume^Porod	101	nm³

SASDMC9 – Plasmodium falciparum Glycogen Synthase Kinase 3 - Ion Exchange Chromatography Fraction 1

Glycogen synthase kinase 3 experimental SAS data

ROSETTA model

Sample:	Glycogen synthase kinase 3 monomer, 52 kDa Plasmodium falciparum (isolate … protein
Buffer:	20 mM Tris pH 8.0, 100 mM NaCl, 0.5 mM TCEP, pH: 8
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2020 Nov 19

N-terminal phosphorylation regulates the activity of glycogen synthase kinase 3 from Plasmodium falciparum. Biochem J 479(3):337-356 (2022)
Pazicky S, Alder A, Mertens H, Svergun D, Gilberger T, Löw C

R_g^Guinier	3.3	nm
D_max	13.0	nm
Volume^Porod	102	nm³

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