S.aureus PstA with c-di-AMP (cyclic-di-AMP receptor)

{
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  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/nm",
  "project": {
    "title": "Activation of a Secondary-Messenger Receptor via Allosteric Modulation of a Dynamic Conformational Ensemble.",
    "publication": {
      "title": "Activation of a Secondary-Messenger Receptor via Allosteric Modulation of a Dynamic Conformational Ensemble.",
      "author_list": "Söldner B, Singh H, Akoury E, Witte G, Linser R",
      "journal": "Angew Chem Int Ed Engl",
      "doi": "10.1002/anie.202509394",
      "pmid": "40770896",
      "published_date": "2025 Aug 6"
    },
    "status": "released",
    "submitted_date": "2025-06-17",
    "released_date": "2025-08-07"
  },
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  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Pilatus 6M",
        "resolution": null
      },
      "name": "PETRA III",
      "city": "DESY; Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL P12",
      "beam_geometry": null,
      "type_of_source": "X-ray synchrotron",
      "point_source": null,
      "line_collimation": null,
      "sample_path_length": null,
      "line_collimation_slitlength": null,
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    },
    "sample": {
      "molecule": [
        {
          "long_name": "Cyclic-di-AMP receptor",
          "short_name": "PstA",
          "sequence": "MGSSHHHHHHSSGLVPRGSHMKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF",
          "organism": "Staphylococcus aureus",
          "uniprot_code": "A0A0D1JF17",
          "uniprot_range_first": 1,
          "uniprot_range_last": 109,
          "oligomerization": "trimer",
          "molecular_type": "protein",
          "uniprot_sequence": "MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVI\nNQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF",
          "mw": 14.002,
          "total_mw": 42.006,
          "number_molecules": 3,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": "Cyclic-di-AMP receptor. The protein construct contains an additional 20 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSSGLVPRGSH)."
        }
      ],
      "buffer": {
        "name": "20 mM Tris, 150 mM NaCl",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.5,
        "deuteration": null
      },
      "purity_method": null,
      "name": "S.aureus PstA with c-di-AMP (cyclic-di-AMP receptor)",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Munich, Germany",
            "full_name": "Ludwig-Maximilians-Universität München",
            "webpage": "https://www.en.uni-muenchen.de"
          }
        ],
        "contributor_name": "Gregor",
        "contributor_surname": "Witte",
        "orcid": "https://orcid.org/0000-0003-0313-0962"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2018-12-11",
    "storage_temperature": 20.0,
    "cell_temperature": 10.0,
    "exposure_time": 0.045,
    "number_of_frames": 80,
    "wavelength": 0.124402,
    "sample_detector_distance": 3.0,
    "concentration_min": 2.2,
    "concentration_max": 11.0,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.084,
    "s_max": 6.998,
    "total_exposure_time": null,
    "seccolumn": null
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  "fits": [],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": null,
  "i0_calibration_standard": null,
  "description": "S.aureus PstA in presence of its ligand c-di-AMP (at 99% saturation). PstA binds 3 molecules of c-di-AMP. The affinity is in the range of KD=20 nM, thus no free c-di-AMP is expected.\r\nCyclic di-AMP: https://pubchem.ncbi.nlm.nih.gov/compound/121513901",
  "experiment_description": null,
  "tags": [],
  "intensity_unit": "arbitrary",
  "experimental_mw": 42.8,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": 54.0,
  "porod_mw_error": null,
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  "pddf_i0_error": null,
  "guinier_i0": 7962.38,
  "guinier_i0_error": null,
  "pddf_rg": 2.662,
  "pddf_rg_error": null,
  "guinier_rg": 2.6,
  "guinier_rg_error": 0.005,
  "pddf_dmax": 11.0,
  "pddf_dmax_error": null,
  "porod_volume": 86.0,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 7,
  "guinier_point_last": 152,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
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  "symmetry": null,
  "last_modified": "2025-08-07T15:46:07.393357+02:00",
  "bragg_peak": []
}

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  "started_at": "2026-08-11T14:46:47.806444+00:00",
  "finished_at": "2026-08-11T14:46:56.042850+00:00",
  "source_last_modified": "2025-08-07T15:46:07.393357+02:00",
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