Small Angle Scattering Biological Data Bank SASBDB

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SASDPZ4 – Consensus SANS Profile - Lysozyme in H2O buffer

Sample:	Lysozyme C monomer, 14 kDa Gallus gallus protein
Buffer:	50 mM sodium citrate, 150 mM NaCl, pH: 4.5
Experiment:	SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22

A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking Acta Crystallographica Section D Structural Biology 78(11) (2022)
Trewhella J, Vachette P, Bierma J, Blanchet C, Brookes E, Chakravarthy S, Chatzimagas L, Cleveland T, Cowieson N, Crossett B, Duff A, Franke D, Gabel F, Gillilan R, Graewert M, Grishaev A, Guss J, Hammel M, Hopkins J, Huang Q, Hub J, Hura G, Irving T, Jeffries C, Jeong C, Kirby N, Krueger S, Martel A, Matsui T, Li N, Pérez J, Porcar L, Prangé T, Rajkovic I, Rocco M, Rosenberg D, Ryan T, Seifert S, Sekiguchi H, Svergun D, Teixeira S, Thureau A, Weiss T, Whitten A, Wood K, Zuo X

R_g^Guinier	1.4	nm
D_max	4.8	nm

SASDP25 – Consensus SANS Profile - Ribonuclease A in H2O buffer

Ribonuclease pancreatic experimental SAS data

Sample:	Ribonuclease pancreatic monomer, 14 kDa Bos taurus protein
Buffer:	50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment:	SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22

R_g^Guinier	1.5	nm
D_max	4.1	nm

SASDP35 – Consensus SANS Profile - Xylanase in H2O buffer

Endo-1,4-beta-xylanase experimental SAS data

Sample:	Endo-1,4-beta-xylanase monomer, 21 kDa Trichoderma longibrachiatum protein
Buffer:	50 mM Tris, 100 mM NaCl, pH: 7.5
Experiment:	SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 22

R_g^Guinier	1.6	nm
D_max	4.3	nm

SASDP45 – Consensus SANS Profile - Urate oxidase in H2O buffer

Sample:	Uricase tetramer, 136 kDa Aspergillus flavus protein
Buffer:	100 mM Tris, 150 mM NaCl, pH: 8
Experiment:	SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 24

R_g^Guinier	3.2	nm
D_max	9.1	nm

SASDP55 – Consensus SANS Profile - Xylose isomerase in H2O buffer

Sample:	Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein
Buffer:	50 mM Tris, 100 mM NaCl, 1 mM MgCl2, pH: 7.5
Experiment:	SANS data collected at (Consensus SAS), Multi-facility, Multiple countries on 2022 Jun 24

R_g^Guinier	3.3	nm
D_max	9.7	nm

SASDNF2 – Serine/threonine-protein phosphatase (PP1) bound to Protein phosphatase 1 (PTG)

Serine/threonine-protein phosphatase PP1-alpha catalytic subunitProtein phosphatase 1 regulatory subunit 3C experimental SAS data

Sample:	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit monomer, 37 kDa Homo sapiens protein Protein phosphatase 1 regulatory subunit 3C monomer, 23 kDa Homo sapiens protein
Buffer:	50 mM Tris pH 8.0, 0.5 M NaCl, 10% glycerol, 1 mM DTT, pH: 8
Experiment:	SAXS data collected at BM29, ESRF on 2021 Apr 7

Molecular architecture of the glycogen- committed PP1/PTG holoenzyme. Nat Commun 13(1):6199 (2022)
Semrau MS, Giachin G, Covaceuszach S, Cassetta A, Demitri N, Storici P, Lolli G

R_g^Guinier	3.3	nm
D_max	11.9	nm
Volume^Porod	87	nm³

SASDNG2 – Serine/threonine-protein phosphatase (PP1) bound to Protein phosphatase 1 (PTG) and cyclodextrin

Sample:	Serine/threonine-protein phosphatase PP1-alpha catalytic subunit monomer, 37 kDa Homo sapiens protein Protein phosphatase 1 regulatory subunit 3C monomer, 23 kDa Homo sapiens protein
Buffer:	50 mM Tris pH 8.0, 0.5 M NaCl, 10% glycerol, 1 mM DTT, pH: 8
Experiment:	SAXS data collected at BM29, ESRF on 2021 Apr 7

Molecular architecture of the glycogen- committed PP1/PTG holoenzyme. Nat Commun 13(1):6199 (2022)
Semrau MS, Giachin G, Covaceuszach S, Cassetta A, Demitri N, Storici P, Lolli G

R_g^Guinier	3.6	nm
D_max	12.3	nm
Volume^Porod	89	nm³

SASDKS7 – Hydroxypyruvate aldolase (HpcH/HpaI aldolase), wild-type in HEPES, NaCl and MgCl2

HpcH/HpaI aldolase experimental SAS data

Sample:	HpcH/HpaI aldolase hexamer, 165 kDa Rhizorhabdus wittichii RW1 protein
Buffer:	20 mM HEPES, 100 mM NaCl, 20 mg/l MgCl2, pH: 7.5
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2019 Dec 15

Substrate Induced Movement of the Metal Cofactor between Active and Resting State Angewandte Chemie International Edition (2022)
Marsden S, Wijma H, Mohr M, Justo I, Hagedoorn P, Laustsen J, Jeffries C, Svergun D, Mestrom L, McMillan D, Bento I, Hanefeld U

R_g^Guinier	3.3	nm
D_max	9.0	nm
Volume^Porod	224	nm³

SASDKT7 – Hydroxypyruvate aldolase (HpcH/HpaI aldolase), S116A mutant in HEPES, NaCl and MgCl2

HpcH/HpaI aldolase (S116A) experimental SAS data

Sample:	HpcH/HpaI aldolase (S116A) hexamer, 165 kDa Sphingomonas wittichii (strain … protein
Buffer:	20 mM HEPES, 100 mM NaCl, 20 mg/l MgCl2, pH: 7.5
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2019 Dec 15

R_g^Guinier	3.3	nm
D_max	9.1	nm
Volume^Porod	222	nm³

SASDKU7 – Hydroxypyruvate aldolase (HpcH/HpaI aldolase), S116C mutant in HEPES, NaCl and MgCl2

HpcH/HpaI aldolase (S116C) experimental SAS data

Sample:	HpcH/HpaI aldolase (S116C) hexamer, 165 kDa Rhizorhabdus wittichii RW1 protein
Buffer:	20 mM HEPES, 100 mM NaCl, 20 mg/l MgCl2, pH: 7.5
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2019 Dec 15

R_g^Guinier	3.3	nm
D_max	9.0	nm
Volume^Porod	223	nm³

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