A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking

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
Acta Crystallographica Section D Structural Biology 78(11) (2022 Oct 20)

doi: 10.1107/S2059798322009184

Submitted to SASBDB: 2022 Jul 1 Published in SASBDB: 2022 Sep 21

SASDPP4 – Consensus SAXS Profile - Ribonuclease A 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 6 RgGuinier 1.5 nm Dmax 4.9 nm VolumePorod 18 nm3

SASDPQ4 – Consensus SAXS Profile - Urate Oxidase 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 6 RgGuinier 3.2 nm Dmax 9.2 nm VolumePorod 220 nm3

SASDPR4 – Consensus SAXS Profile - Xylose Isomerase Sample: Xylose isomerase tetramer, 173 kDa Streptomyces rubiginosus protein Buffer: ConsensusBuffer_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 6 RgGuinier 3.3 nm Dmax 10.1 nm VolumePorod 243 nm3

SASDPS4 – Consensus SAXS Profile - Xylanase 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 6 RgGuinier 1.6 nm Dmax 5.1 nm VolumePorod 27 nm3

SASDPT4 – Consensus SAXS Profile - Lysozyme 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 6 RgGuinier 1.5 nm Dmax 4.8 nm VolumePorod 19 nm3

SASDPU4 – Consensus SANS Profile - Ribonuclease A in 100% v/v D2O buffer 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 6 RgGuinier 1.4 nm Dmax 4.4 nm

SASDPV4 – Consensus SANS Profile - Lysozyme in 100% v/v D2O 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 6 RgGuinier 1.2 nm Dmax 3.8 nm

SASDPW4 – Consensus SANS Profile - Xylanase in 100% v/v D2O buffer 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 6 RgGuinier 1.5 nm Dmax 4.4 nm

SASDPX4 – Consensus SANS Profile - Urate oxidase in 100% v/v D2O 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 6 RgGuinier 3.1 nm Dmax 9.3 nm

SASDPY4 – Consensus SANS Profile - Xylose isomerase in 100% v/v D2O 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 6 RgGuinier 3.1 nm Dmax 9.5 nm

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 RgGuinier 1.4 nm Dmax 4.8 nm

SASDP25 – Consensus SANS Profile - Ribonuclease A in H2O buffer 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 RgGuinier 1.5 nm Dmax 4.1 nm

SASDP35 – Consensus SANS Profile - Xylanase in H2O buffer 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 RgGuinier 1.6 nm Dmax 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 RgGuinier 3.2 nm Dmax 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 RgGuinier 3.3 nm Dmax 9.7 nm