{"code":"SASDAA6","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/nm","project":{"title":"Correlation Map, a goodness-of-fit test for one-dimensional X-ray scattering spectra.","publication":{"title":"Correlation Map, a goodness-of-fit test for one-dimensional X-ray scattering spectra.","author_list":"Franke D, Jeffries CM, Svergun DI","journal":"Nat Methods","doi":"10.1038/nmeth.3358","pmid":"25849637","published_date":"2015 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GNOM","pddf_software_version":null,"i0_calibration_standard":null,"description":null,"experiment_description":"X-ray synchrotron radiation scattering data from solutions of Human serum albumin in 50 mM HEPES, pH 7.5 were collected on the P12 beam line at Petra-III (Hamburg, Germany) using a Pilatus 2M detector (I(s) vs s, where s = 4π sin θ/λ; 2θ is the scattering angle and λ = 0.12 nm). SAXS data of the HSA monomer were obtained from averaging 38 x 1 second frames spanning a separated HSA monomer elution peak from in-line size exclusion chromatography-SAXS (top four profiles and the respective ab initio and atomic model fits). The bottom three profiles are derived from un-purified stock solutions of HSA, consisting of monomers, dimers, and higher oligomeric species at three concentrations: 20 mg/ml, 10 mg/ml and 5 mg/ml. These data are included to illustrate the effects of repulsive interparticle interactions. The atomic model monomer fits to the HSA mixtures (using PDB 1E78_chain_A)  are also shown, with chi2 values of 1.99 (20 mg/ml), 1.27 (10 mg/ml) and 1.43 (5 mg/ml). The p-value determined using Correlation map for the monomer fit to the mixture data is 0 in all instances, indicating statistically significant differences are present between the model and data (cf. a chi2 of 1.01 and p-value of 0.035 for the purified monomer model fit to the SEC-SAXS data).","tags":["benchmark"],"intensity_unit":null,"experimental_mw":61.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":61.0,"porod_mw_error":null,"pddf_i0":522.8,"pddf_i0_error":null,"guinier_i0":521.4,"guinier_i0_error":null,"pddf_rg":2.8,"pddf_rg_error":null,"guinier_rg":2.8,"guinier_rg_error":null,"pddf_dmax":8.42,"pddf_dmax_error":null,"porod_volume":103.43,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":1,"guinier_point_last":117,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDAA6_datloglog_img.png","symmetry":null,"last_modified":"2023-06-21T07:56:39.492710+02:00","bragg_peak":[]}