SASDAQ2

Ubiquitin in sodium acetate

数据类型：SASBDB 实验数据 状态：Published 曲线类型：Extrapolated to infinite dilution 最后更新：2023-05-25T11:21:52.654103+02:00

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1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Ubiquitin in sodium acetate

浓度	— – 24.2 mg/ml	缓冲液 / pH	40 mM Sodium acetate 150 mM NaCl / 5.5
实验温度	10.0	设备 / 束线	DORIS III, DESY / EMBL X33
波长	0.15 nm	曝光	15.0 s × 8

分子组分

组分	类型 / 物种	UniProt 与构建体	寡聚状态	分子量
Ubiquitin 查看序列 MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG	proteinBos taurus	P630481–76	monomer分子数 1	8.565 kDa

实验曲线

曲线	点数 / 列	q 范围	误差质量	负强度点	来源文件
1	2168[3]	0.0871252–6.01453 1/nm	含误差列缺失 0	0	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.dat

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2. SASBDB 报告的指标 Reported Results

指标	方法	数值	误差	单位
dmax	P(r)	4.9	—	nm
i0	Guinier	7.09	—	—
i0	P(r)	7.17	—	—
mw	Experimental	8.0	—	kDa
mw	Guinier I(0)	8.0	—	kDa
porod_volume	Porod	12.0	—	nm³
rg	Guinier	1.27	—	nm
rg	P(r)	1.31	—	nm

这些数值是 SASBDB 来源记录，不是 SAXSdb 对实验曲线重新计算的结果。

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3. 来源拟合与模型 Source Fits & Models

拟合 1 · CRYSOL 2.8

χ²：4.0CorMap p：0.0单位：1/A

拟合数据拟合图残差图

模型	名称 / 类型	软件	对称性	模型 MW	PDB 声明	来源文件
1	—atomic	PDB (Protein Data Bank)	—	8.564	1UBQ	模型图片日志

拟合 2 · —

χ²：14.227984CorMap p：0.0单位：1/A

拟合数据拟合图残差图

模型	名称 / 类型	软件	对称性	模型 MW	PDB 声明	来源文件
1	—dummy	DAMMIF	p1	8.0	—	模型图片日志

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4. 来源文件索引 Source Files

类别	路径	下载状态	大小
curve	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.dat	downloaded	98008
full_entry_zip	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.zip	downloaded	129439
pddf	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.out	downloaded	88338
sascif	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.sascif	downloaded	639440
summary	sasbdb/entries/q2/sasdaq2/source/summary.json	downloaded	7466

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5. 实验说明与论文 Experiment & Publication

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6. 完整来源记录 Complete Source Record

下列内容直接来自 SASBDB 条目。字段没有值时显示“—”；未声明的单位不会由 SAXSdb 猜测。

打开 SASBDB 原始条目

缓冲液与样品属性

缓冲液名称	40 mM Sodium acetate 150 mM NaCl	缓冲液浓度	40.0 mM
pH	5.5	添加剂	NaCl 150.000 mM
缓冲液说明	—
纯度测定方法	gel filtration	消光系数	1.74
吸收值	—	散射对比度	—
比体积 / 干体积	— / 17820	混合物 / 氘代	— / —

采集条件与仪器

测量日期	2012-09-18	储存 / 测量温度	10.0 / 10.0
曝光时间	15.0	帧数	8
波长	0.15	样品-探测器距离	2.7
光源	X-ray synchrotron	探测器	Pilatus 1M-W
机构 / 束线	DORIS III, DESY / EMBL X33 · Hamburg, Germany
q 范围	0.087 – 6.015	样品体积 / 流速	— / —

SASBDB 原始图

可下载文件

类别	文件	状态	大小	校验值	下载与查看
curve	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.dat	downloaded	98008	fc48b400245a175d7713866ff97e770546963c7856a20e16a79f4085621cd0b2	下载查看原文件源站
full_entry_zip	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.zip	downloaded	129439	2f8c3a9ebebdaa58fc785e60f9aa64590f3caf602782cbe73ee7beeccb89f1b3	下载查看原文件源站
pddf	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.out	downloaded	88338	43ff3d12321f84e920bc652e254e48d49a25aed93407c28932209761b6a2c46c	下载查看原文件源站
sascif	sasbdb/entries/q2/sasdaq2/source/SASDAQ2.sascif	downloaded	639440	a804fd2c9a9b7631ac022b4a5028ecf9e663ab799494c9245950446cac5afc40	下载查看原文件源站
summary	sasbdb/entries/q2/sasdaq2/source/summary.json	downloaded	7466	1de7acddb6639c1012951e35ea1714a152a521b875389872ce3a190f8c4d640d	下载查看原文件源站

curve：来源记录

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  "role": "curve",
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  "url": "https://www.sasbdb.org/media/intensities_files/SASDAQ2.dat"
}

full_entry_zip：来源记录与 ZIP 内部目录（6 项）

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  "url": "https://www.sasbdb.org/media/zip_directories/SASDAQ2.zip",
  "zip_member_count": 6,
  "zip_members": [
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      "name": "SASDAQ2/pddf/SASDAQ2.out",
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    {
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      "name": "SASDAQ2/SASDAQ2_fit1.fit",
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    {
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      "name": "SASDAQ2/SASDAQ2_fit1_model1.pdb",
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pddf：来源记录

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  "size": 88338,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/p_of_R_files/SASDAQ2.out"
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sascif：来源记录

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summary：来源记录

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  "size": 7466,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDAQ2/"
}

全部来源字段（无筛选）

这里自动展开来源记录中的每一个字段，包括空值、列表成员和页面上方已展示过的字段。

summary.json：177 个字段值

字段路径	原始值
code	SASDAQ2
status	Published
type_of_curve	Extrapolated to infinite dilution
angular_unit	1/nm
project.title	Standard proteins
project.publication	null
project.status	released
project.submitted_date	null
project.released_date	2015-07-07
pddf_data	https://www.sasbdb.org/media/p_of_R_files/SASDAQ2.out
intensities_data	https://www.sasbdb.org/media/intensities_files/SASDAQ2.dat
intensities_log_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_dat_img.png
intensities_kratky_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_kratky_img.png
pddf_plot	https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDAQ2_pofr_img.png
intensities_guinier_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_guinier_img.png
sascif_data	https://www.sasbdb.org/media/sascif/sascif_files/SASDAQ2.sascif
experiment.instrument.detector.type	Custom-built
experiment.instrument.detector.name	Pilatus 1M-W
experiment.instrument.detector.resolution	0.172
experiment.instrument.name	DORIS III, DESY
experiment.instrument.city	Hamburg
experiment.instrument.country	Germany
experiment.instrument.beamline_name	EMBL X33
experiment.instrument.beam_geometry	0.60
experiment.instrument.type_of_source	X-ray synchrotron
experiment.instrument.point_source	null
experiment.instrument.line_collimation	null
experiment.instrument.sample_path_length	null
experiment.instrument.line_collimation_slitlength	null
experiment.instrument.line_collimation_integrationwidth	null
experiment.instrument.xray_energy	null
experiment.instrument.beam_profile_ah	null
experiment.instrument.beam_profile_al	null
experiment.sample.molecule[0].long_name	Ubiquitin
experiment.sample.molecule[0].short_name	UBQ
experiment.sample.molecule[0].sequence	MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG
experiment.sample.molecule[0].organism	Bos taurus
experiment.sample.molecule[0].uniprot_code	P63048
experiment.sample.molecule[0].uniprot_range_first	1
experiment.sample.molecule[0].uniprot_range_last	76
experiment.sample.molecule[0].oligomerization	monomer
experiment.sample.molecule[0].molecular_type	protein
experiment.sample.molecule[0].uniprot_sequence	MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGGIIEPSLRQLAQKYNCDKMICRKCYARLHPRAVNCRKKKCGHTNN LRPKKKVK
experiment.sample.molecule[0].mw	8.565
experiment.sample.molecule[0].total_mw	8.565
experiment.sample.molecule[0].number_molecules	1
experiment.sample.molecule[0].complex_state	null
experiment.sample.molecule[0].deuteration	null
experiment.sample.molecule[0].molecule_source	biological
experiment.sample.molecule[0].molecule_description	null
experiment.sample.buffer.name	40 mM Sodium acetate 150 mM NaCl
experiment.sample.buffer.concentration_unit	mM
experiment.sample.buffer.comment	null
experiment.sample.buffer.additive	NaCl 150.000 mM
experiment.sample.buffer.concentration	40.0
experiment.sample.buffer.pka	null
experiment.sample.buffer.ph	5.5
experiment.sample.buffer.deuteration	null
experiment.sample.purity_method	gel filtration
experiment.sample.name	Ubiquitin in sodium acetate
experiment.sample.ext_coefficient	1.74
experiment.sample.contrast	null
experiment.sample.specific_vol	null
experiment.sample.dry_vol	17820
experiment.sample.absorbption	null
experiment.sample.deuteration	null
experiment.sample.mixture	null
experiment.contributor[0].affiliation[0].short_name	EMBL-Hamburg
experiment.contributor[0].affiliation[0].address	Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany
experiment.contributor[0].affiliation[0].full_name	European Molecular Biology Laboratory (EMBL) - Hamburg outstation
experiment.contributor[0].affiliation[0].webpage	http://www.embl-hamburg.de/index.php
experiment.contributor[0].contributor_name	Darja
experiment.contributor[0].contributor_surname	Ruskule
experiment.contributor[0].orcid	null
experiment.concentration_method	nanodrop
experiment.concentration_unit	mg/ml
experiment.date	2012-09-18
experiment.storage_temperature	10.0
experiment.cell_temperature	10.0
experiment.exposure_time	15.0
experiment.number_of_frames	8
experiment.wavelength	0.15
experiment.sample_detector_distance	2.7
experiment.concentration_min	null
experiment.concentration_max	24.2
experiment.sample_volume	null
experiment.flow_rate	null
experiment.s_min	0.087
experiment.s_max	6.015
experiment.total_exposure_time	null
experiment.seccolumn	null
fits[0].models[0].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDAQ2_fit1_model1_img.png
fits[0].models[0].software	PDB (Protein Data Bank)
fits[0].models[0].pdb_link[0].pdb_code	1ubq
fits[0].models[0].pdb_link[0].ext_code	1ubq
fits[0].models[0].pdb_link[0].ext_type	pdb
fits[0].models[0].pdb_link[0].difference_with_model	null
fits[0].models[0].model_title	null
fits[0].models[0].type_of_model	atomic
fits[0].models[0].software_version
fits[0].models[0].model_data	https://www.sasbdb.org/media/pdb_file/SASDAQ2_fit1_model1.pdb
fits[0].models[0].model_mw	8.564
fits[0].models[0].bead_radius	0.0
fits[0].models[0].log	https://www.sasbdb.org/media/log_files/1UBQ00.log
fits[0].models[0].symmetry
fits[0].models[0].comment
fits[0].models[0].user	1
fits[0].fit_unit	1/A
fits[0].fit_plot	https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAQ2_fit1_fixed_fit_img.png
fits[0].software	CRYSOL
fits[0].chi_square_value	4.0
fits[0].p_value	0.0
fits[0].fit_residual_plot	SASDAQ2_fit1_fitresiduals_img.png
fits[0].fit_data	https://www.sasbdb.org/media/fitting_files/SASDAQ2_fit1.fit
fits[0].fit_log	null
fits[0].software_version	2.8
fits[0].description	null
fits[1].models[0].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDAQ2_fit2_model1_img.png
fits[1].models[0].software	DAMMIF
fits[1].models[0].pdb_link	[]
fits[1].models[0].model_title	null
fits[1].models[0].type_of_model	dummy
fits[1].models[0].software_version
fits[1].models[0].model_data	https://www.sasbdb.org/media/pdb_file/SASDAQ2_fit2_model1.pdb
fits[1].models[0].model_mw	8.0
fits[1].models[0].bead_radius	1.0
fits[1].models[0].log	https://www.sasbdb.org/media/log_files/ubq_cut_4.log
fits[1].models[0].symmetry	p1
fits[1].models[0].comment
fits[1].models[0].user	1
fits[1].fit_unit	1/A
fits[1].fit_plot	https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDAQ2_fit2_fixed_fit_img.png
fits[1].software	null
fits[1].chi_square_value	14.227984
fits[1].p_value	0.0
fits[1].fit_residual_plot	SASDAQ2_fit2_fitresiduals_img.png
fits[1].fit_data	https://www.sasbdb.org/media/fitting_files/SASDAQ2_fit2.fir
fits[1].fit_log	null
fits[1].software_version	null
fits[1].description	null
estimated_volume_method	null
pddf_software	ATSAS GNOM
pddf_software_version	GNOM
i0_calibration_standard	BSA
description	null
experiment_description	null
tags[0]	X33
intensity_unit	null
experimental_mw	8.0
experimental_mw_error	null
guinier_i0_mw	8.0
guinier_i0_mw_error	null
porod_mw	null
porod_mw_error	null
pddf_i0	7.17
pddf_i0_error	null
guinier_i0	7.09
guinier_i0_error	null
pddf_rg	1.31
pddf_rg_error	null
guinier_rg	1.27
guinier_rg_error	null
pddf_dmax	4.9
pddf_dmax_error	null
porod_volume	12.0
porod_volume_error	null
estimated_volume	null
estimated_volume_error	null
guinier_point_first	90
guinier_point_last	282
pddf_point_first	null
pddf_point_last	null
i0_calibration_standard_data	https://www.sasbdb.org/media/standard_curves/bsa_203_6.dat
intensities_log_log_plot	SASDAQ2_datloglog_img.png
symmetry	null
last_modified	2023-05-25T11:21:52.654103+02:00
bragg_peak	[]

manifest.json：36 个字段值

字段路径	原始值
code	SASDAQ2
status	success
started_at	2026-08-11T13:43:27.689590+00:00
finished_at	2026-08-11T13:43:42.729206+00:00
source_last_modified	2023-05-25T11:21:52.654103+02:00
files[0].status	downloaded
files[0].url	https://www.sasbdb.org/rest-api/entry/summary/SASDAQ2/
files[0].path	/data/saxsdb/sasbdb/entries/q2/sasdaq2/source/summary.json
files[0].size	7466
files[0].sha256	1de7acddb6639c1012951e35ea1714a152a521b875389872ce3a190f8c4d640d
files[1].status	downloaded
files[1].url	https://www.sasbdb.org/media/intensities_files/SASDAQ2.dat
files[1].path	/data/saxsdb/sasbdb/entries/q2/sasdaq2/source/SASDAQ2.dat
files[1].size	98008
files[1].sha256	fc48b400245a175d7713866ff97e770546963c7856a20e16a79f4085621cd0b2
files[1].role	curve
files[2].status	downloaded
files[2].url	https://www.sasbdb.org/media/p_of_R_files/SASDAQ2.out
files[2].path	/data/saxsdb/sasbdb/entries/q2/sasdaq2/source/SASDAQ2.out
files[2].size	88338
files[2].sha256	43ff3d12321f84e920bc652e254e48d49a25aed93407c28932209761b6a2c46c
files[2].role	pddf
files[3].status	downloaded
files[3].url	https://www.sasbdb.org/media/sascif/sascif_files/SASDAQ2.sascif
files[3].path	/data/saxsdb/sasbdb/entries/q2/sasdaq2/source/SASDAQ2.sascif
files[3].size	639440
files[3].sha256	a804fd2c9a9b7631ac022b4a5028ecf9e663ab799494c9245950446cac5afc40
files[3].role	sascif
files[4].status	downloaded
files[4].url	https://www.sasbdb.org/media/zip_directories/SASDAQ2.zip
files[4].path	/data/saxsdb/sasbdb/entries/q2/sasdaq2/source/SASDAQ2.zip
files[4].size	129439
files[4].sha256	2f8c3a9ebebdaa58fc785e60f9aa64590f3caf602782cbe73ee7beeccb89f1b3
files[4].role	full_entry_zip
files[4].zip_member_count	6
files[4].zip_validation	central_directory_readable

查看完整 summary.json 原文

{
  "code": "SASDAQ2",
  "status": "Published",
  "type_of_curve": "Extrapolated to infinite dilution",
  "angular_unit": "1/nm",
  "project": {
    "title": "Standard proteins",
    "publication": null,
    "status": "released",
    "submitted_date": null,
    "released_date": "2015-07-07"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDAQ2.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDAQ2.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDAQ2_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDAQ2_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDAQ2.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": "Custom-built",
        "name": "Pilatus 1M-W",
        "resolution": 0.172
      },
      "name": "DORIS III, DESY",
      "city": "Hamburg",
      "country": "Germany",
      "beamline_name": "EMBL X33",
      "beam_geometry": "0.60",
      "type_of_source": "X-ray synchrotron",
      "point_source": null,
      "line_collimation": null,
      "sample_path_length": null,
      "line_collimation_slitlength": null,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
      "beam_profile_al": null
    },
    "sample": {
      "molecule": [
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查看完整 manifest.json 原文

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