Small Angle Scattering Biological Data Bank SASBDB

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SASDWG4 – Outer membrane protein MIP from Legionella pneumophila (LpMIP) in complex with inhibitor NJS227

Outer membrane protein MIP(2S)‐3‐(4‐fluorophenyl)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐N‐[(pyridin‐3‐yl)methyl]propanamide experimental SAS data

Sample:	Outer membrane protein MIP dimer, 46 kDa Legionella pneumophila subsp. … protein (2S)‐3‐(4‐fluorophenyl)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐N‐[(pyridin‐3‐yl)methyl]propanamide monomer, 1 kDa
Buffer:	20 mM Tris, 150 mM NaCl, pH: 7.5
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2021 Nov 22

Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors. J Med Chem (2025)
Pérez Carrillo VH, Whittaker JJ, Wiedemann C, Harder JM, Lohr T, Jamithireddy AK, Dajka M, Goretzki B, Joseph B, Guskov A, Harmer NJ, Holzgrabe U, Hellmich UA

R_g^Guinier	3.0	nm
D_max	10.0	nm
Volume^Porod	65	nm³

SASDWA3 – Ovalbumin, Monomer from SEC-SANS

Sample:	Ovalbumin monomer, 43 kDa Gallus gallus protein
Buffer:	100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O, pH: 7.5
Experiment:	SANS data collected at SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Apr 22

Size-exclusion chromatography–small-angle neutron scattering system optimized for an instrument with medium neutron flux Journal of Applied Crystallography 58(2) (2025)
Morishima K, Inoue R, Nakagawa T, Shimizu M, Sakamoto R, Oda T, Mayumi K, Sugiyama M

R_g^Guinier	2.0	nm
D_max	6.5	nm

SASDWC3 – Apoferritin, from SEC-SANS

Ferritin light chain experimental SAS data

Sample:	Ferritin light chain 24-mer, 476 kDa Equus caballus protein
Buffer:	100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O, pH: 7.5
Experiment:	SANS data collected at SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Apr 22

R_g^Guinier	5.4	nm
D_max	23.1	nm

SASDWD3 – Cyanobacterial circadian clock protein KaiB-KaiC complex (hydrogenated-KaiB and hydrogenated-KaiC in 100% v/v D₂O ) measured by SEC-SANS

Circadian clock oscillator protein KaiBCircadian clock oscillator protein KaiC experimental SAS data

Circadian clock oscillator protein KaiB Circadian clock oscillator protein KaiC Kratky plot

Sample:	Circadian clock oscillator protein KaiB hexamer, 71 kDa Synechococcus sp. (strain … protein Circadian clock oscillator protein KaiC hexamer, 356 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 SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Jul 2

R_g^Guinier	4.9	nm
D_max	14.4	nm

SASDWE3 – Cyanobacterial circadian clock protein KaiB-KaiC complex (71% deuterated-KaiB and hydrogenated-KaiC in 100% v/v D₂O ) measured by SEC-SANS

Sample:	Circadian clock oscillator protein KaiB hexamer, 71 kDa Synechococcus sp. (strain … protein Circadian clock oscillator protein KaiC hexamer, 356 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 SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Jul 2

R_g^Guinier	4.3	nm
D_max	11.7	nm

SASDWF3 – Circadian clock protein KaiC (hydrogenated-KaiC in 100% v/v D₂O ) measured by SEC-SANS

Circadian clock oscillator protein KaiC experimental SAS data

Circadian clock oscillator protein KaiC Kratky plot

Sample:	Circadian clock oscillator protein KaiC hexamer, 356 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 SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Jul 2

R_g^Guinier	4.4	nm
D_max	11.9	nm

SASDSR9 – SARS-CoV-2 N-protein (N1-245; residues 1-245): 38.2 µM

Sample:	Nucleoprotein monomer, 27 kDa Severe acute respiratory … protein
Buffer:	100 mM Tris-HCl, 150 mM NaCl, 1 mM EDTA, pH: 8
Experiment:	SAXS data collected at B21, Diamond Light Source on 2022 May 13

SARS-CoV-2 N-protein variants: N1-246 and IDL176-246
Guillem Hernandez

R_g^Guinier	3.3	nm
D_max	15.5	nm
Volume^Porod	56	nm³

SASDSS9 – SARS-CoV-2 N-protein (N1-245, residues 1-245): 76.4 µM

Sample:	Nucleoprotein dimer, 55 kDa Severe acute respiratory … protein
Buffer:	100 mM Tris-HCl, 150 mM NaCl, 1 mM EDTA, pH: 8
Experiment:	SAXS data collected at B21, Diamond Light Source on 2022 May 13

SARS-CoV-2 N-protein variants: N1-246 and IDL176-246
Guillem Hernandez

R_g^Guinier	4.0	nm
D_max	18.0	nm
Volume^Porod	67	nm³

SASDST9 – SARS-CoV-2 N-protein (N1-245; residues 1-245): 294.7 µM

Sample:	Nucleoprotein tetramer, 110 kDa Severe acute respiratory … protein
Buffer:	100 mM Tris-HCl, 150 mM NaCl, 1 mM EDTA, pH: 8
Experiment:	SAXS data collected at B21, Diamond Light Source on 2022 May 13

SARS-CoV-2 N-protein variants: N1-246 and IDL176-246
Guillem Hernandez

R_g^Guinier	5.2	nm
D_max	22.0	nm
Volume^Porod	117	nm³

SASDSU9 – SARS-CoV-2 N-protein (N1-245, residues 1-245): 400 µM

Sample:	Nucleoprotein tetramer, 110 kDa Severe acute respiratory … protein
Buffer:	100 mM Tris-HCl, 150 mM NaCl, 1 mM EDTA, pH: 8
Experiment:	SAXS data collected at B21, Diamond Light Source on 2022 May 13

SARS-CoV-2 N-protein variants: N1-246 and IDL176-246
Guillem Hernandez

R_g^Guinier	5.4	nm
D_max	24.0	nm
Volume^Porod	157	nm³

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