SASDEH2

Unlabeled nucleoporin NUP49/NSP49 (N49) without denaturant

数据类型：SASBDB 实验数据 状态：Published 曲线类型：Merged 最后更新：2023-06-21T07:56:39.492710+02:00

The protein contains a penultimate non-canonical amino acid p-acetylphenylalanine (207 Da) that is represented as U (selenocysteine, 168 Da) in the amino acid sequence for the entry. Therefore, the calculated MW from sequence (MW(expected)) must be adjusted accordingly (ca. 40 Da).

▼

1. 样品、组分与实验条件 Sample & Experiment

样品 1 · Unlabeled nucleoporin NUP49/NSP49 (N49) without denaturant

浓度	2.0 – 10.0	缓冲液 / pH	PBS, 10 mM DTT / 7.4
实验温度	23.0	设备 / 束线	PETRA III / EMBL P12
波长	0.1 nm	曝光	0.05 s × 20

分子组分

组分	类型 / 物种	UniProt 与构建体	寡聚状态	分子量
Nucleoporin NUP49/NSP49 查看序列 >U=4-ACETYLPHENYLALANINEGCQTSRGLFGNNNTNNINNSSSGMNNASAGLFGSKPUA	proteinSaccharomyces cerevisiae	Q02199121–154	monomer分子数 1	3.853 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	1682[3]	0.027543–4.45043 1/nm	含误差列缺失 0	17	sasbdb/entries/h2/sasdeh2/source/SASDEH2.dat

▼

2. SASBDB 报告的指标 Reported Results

指标	方法	数值	误差	单位
dmax	P(r)	6.0	—	nm
i0	Guinier	76.11	0.76	arbitrary
i0	P(r)	76.16	—	arbitrary
mw	Experimental	3.9	—	kDa
porod_volume	Porod	3.67	—	nm³
rg	Guinier	1.59	0.13	nm
rg	P(r)	1.67	0.02	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。

▼

3. 来源拟合与模型 Source Fits & Models

拟合 1 · EOM/GAJOE

χ²：0.956CorMap p：0.184774单位：1/A

拟合数据拟合日志拟合图残差图

模型	名称 / 类型	软件	对称性	模型 MW	PDB 声明	来源文件
1	—atomic	Other CAMPARI	—	3.862	—	模型图片
2	—atomic	Other CAMPARI	—	3.862	—	模型图片
3	—atomic	Other CAMPARI	—	3.862	—	模型图片
4	—atomic	Other CAMPARI	—	3.862	—	模型图片
5	—atomic	Other CAMPARI	—	3.862	—	模型图片
6	—atomic	Other CAMPARI	—	3.862	—	模型图片
7	—atomic	Other CAMPARI	—	3.862	—	模型图片
8	—atomic	Other CAMPARI	—	3.862	—	模型图片
9	—atomic	Other CAMPARI	—	3.862	—	模型图片

▶

4. 来源文件索引 Source Files

类别	路径	下载状态	大小
curve	sasbdb/entries/h2/sasdeh2/source/SASDEH2.dat	downloaded	77707
full_entry_zip	sasbdb/entries/h2/sasdeh2/source/SASDEH2.zip	downloaded	155640
pddf	sasbdb/entries/h2/sasdeh2/source/SASDEH2.out	downloaded	138211
sascif	sasbdb/entries/h2/sasdeh2/source/SASDEH2.sascif	downloaded	744118
summary	sasbdb/entries/h2/sasdeh2/source/summary.json	downloaded	12104

▶

5. 实验说明与论文 Experiment & Publication

▼

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	PBS, 10 mM DTT	缓冲液浓度	—
pH	7.4	添加剂	—
缓冲液说明	—
纯度测定方法	—	消光系数	—
吸收值	—	散射对比度	—
比体积 / 干体积	— / —	混合物 / 氘代	— / —

采集条件与仪器

测量日期	2013-12-08	储存 / 测量温度	— / 23.0
曝光时间	0.05	帧数	20
波长	0.1	样品-探测器距离	3.0
光源	X-ray synchrotron	探测器	Pilatus 2M
机构 / 束线	PETRA III / EMBL P12 · DESY; Hamburg, Germany
q 范围	0.028 – 4.45	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/h2/sasdeh2/source/SASDEH2.dat	downloaded	77707	4c310faf839852ba35e2273907d172c506a0c8d8ef86675e427cf23108682ebe	下载查看原文件源站
full_entry_zip	sasbdb/entries/h2/sasdeh2/source/SASDEH2.zip	downloaded	155640	0e059702b1590bc3bf6c56602412b4a273d33bed172b2963925213dce8e50b1f	下载查看原文件源站
pddf	sasbdb/entries/h2/sasdeh2/source/SASDEH2.out	downloaded	138211	d682f69dbc3f27a8e49f8461a8d9fee20155d9f15d074cae95ae6d2c6ebf3ece	下载查看原文件源站
sascif	sasbdb/entries/h2/sasdeh2/source/SASDEH2.sascif	downloaded	744118	6e26bd7447baa0470450437dcca9cc9d1e7a5119a5a3cd72ff2a80010f679757	下载查看原文件源站
summary	sasbdb/entries/h2/sasdeh2/source/summary.json	downloaded	12104	730990d0430e6208593b76c8a49bc4382e3c8db28118fd043a17997818c35275	下载查看原文件源站

curve：来源记录

{
  "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.dat",
  "role": "curve",
  "sha256": "4c310faf839852ba35e2273907d172c506a0c8d8ef86675e427cf23108682ebe",
  "size": 77707,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/intensities_files/SASDEH2.dat"
}

full_entry_zip：来源记录与 ZIP 内部目录（13 项）

{
  "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.zip",
  "role": "full_entry_zip",
  "sha256": "0e059702b1590bc3bf6c56602412b4a273d33bed172b2963925213dce8e50b1f",
  "size": 155640,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/zip_directories/SASDEH2.zip",
  "zip_member_count": 13,
  "zip_members": [
    {
      "crc32": "08918299",
      "name": "SASDEH2/experimental_data/SASDEH2.dat",
      "size": 77707
    },
    {
      "crc32": "4af4351e",
      "name": "SASDEH2/pddf/SASDEH2.out",
      "size": 138211
    },
    {
      "crc32": "d78b3049",
      "name": "SASDEH2/SASDEH2_fit1.fit",
      "size": 102669
    },
    {
      "crc32": "19d6164e",
      "name": "SASDEH2/SASDEH2_fit1_model1.pdb",
      "size": 41031
    },
    {
      "crc32": "5f0893fa",
      "name": "SASDEH2/SASDEH2_fit1_model2.pdb",
      "size": 41031
    },
    {
      "crc32": "88c440bc",
      "name": "SASDEH2/SASDEH2_fit1_model3.pdb",
      "size": 41031
    },
    {
      "crc32": "225afa44",
      "name": "SASDEH2/SASDEH2_fit1_model4.pdb",
      "size": 41031
    },
    {
      "crc32": "1cbfdc64",
      "name": "SASDEH2/SASDEH2_fit1_model5.pdb",
      "size": 41031
    },
    {
      "crc32": "b58f7edf",
      "name": "SASDEH2/SASDEH2_fit1_model6.pdb",
      "size": 41031
    },
    {
      "crc32": "5f9a3f6c",
      "name": "SASDEH2/SASDEH2_fit1_model7.pdb",
      "size": 41031
    },
    {
      "crc32": "4641745f",
      "name": "SASDEH2/SASDEH2_fit1_model8.pdb",
      "size": 41031
    },
    {
      "crc32": "4a3dd356",
      "name": "SASDEH2/SASDEH2_fit1_model9.pdb",
      "size": 41031
    },
    {
      "crc32": "17ea239a",
      "name": "SASDEH2/SASDEH2_fit1_rg_distribution.txt",
      "size": 2501
    }
  ],
  "zip_validation": "central_directory_readable"
}

pddf：来源记录

{
  "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.out",
  "role": "pddf",
  "sha256": "d682f69dbc3f27a8e49f8461a8d9fee20155d9f15d074cae95ae6d2c6ebf3ece",
  "size": 138211,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/p_of_R_files/SASDEH2.out"
}

sascif：来源记录

{
  "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.sascif",
  "role": "sascif",
  "sha256": "6e26bd7447baa0470450437dcca9cc9d1e7a5119a5a3cd72ff2a80010f679757",
  "size": 744118,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEH2.sascif"
}

summary：来源记录

{
  "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/summary.json",
  "sha256": "730990d0430e6208593b76c8a49bc4382e3c8db28118fd043a17997818c35275",
  "size": 12104,
  "status": "downloaded",
  "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDEH2/"
}

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：260 个字段值

字段路径	原始值
code	SASDEH2
status	Published
type_of_curve	Merged
angular_unit	1/nm
project.title	Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.
project.publication.title	Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.
project.publication.author_list	Fuertes G, Banterle N, Ruff KM, Chowdhury A, Mercadante D, Koehler C, Kachala M, Estrada Girona G, Milles S, Mishra A, Onck PR, Gräter F, Esteban-Martín S, Pappu RV, Svergun DI, Lemke EA
project.publication.journal	Proc Natl Acad Sci U S A
project.publication.doi	10.1073/pnas.1704692114
project.publication.pmid	28716919
project.publication.published_date	2017 Aug 1
project.status	released
project.submitted_date	2018-08-16
project.released_date	2018-08-18
pddf_data	https://www.sasbdb.org/media/p_of_R_files/SASDEH2.out
intensities_data	https://www.sasbdb.org/media/intensities_files/SASDEH2.dat
intensities_log_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_dat_img.png
intensities_kratky_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_kratky_img.png
pddf_plot	https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEH2_pofr_img.png
intensities_guinier_plot	https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_guinier_img.png
sascif_data	https://www.sasbdb.org/media/sascif/sascif_files/SASDEH2.sascif
experiment.instrument.detector.type	null
experiment.instrument.detector.name	Pilatus 2M
experiment.instrument.detector.resolution	null
experiment.instrument.name	PETRA III
experiment.instrument.city	DESY; Hamburg
experiment.instrument.country	Germany
experiment.instrument.beamline_name	EMBL P12
experiment.instrument.beam_geometry	null
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	Nucleoporin NUP49/NSP49
experiment.sample.molecule[0].short_name	N49
experiment.sample.molecule[0].sequence	> U=4-acetylphenylalanine GCQTSRGLFGNNNTNNINNSSSGMNNASAGLFGSKPUA
experiment.sample.molecule[0].organism	Saccharomyces cerevisiae
experiment.sample.molecule[0].uniprot_code	Q02199
experiment.sample.molecule[0].uniprot_range_first	121
experiment.sample.molecule[0].uniprot_range_last	154
experiment.sample.molecule[0].oligomerization	monomer
experiment.sample.molecule[0].molecular_type	protein
experiment.sample.molecule[0].uniprot_sequence	MFGLNKASSTPAGGLFGQASGASTGNANTGFSFGGTQTGQNTGPSTGGLFGAKPAGSTGG LGASFGQQQQQSQTNAFGGSATTGGGLFGNKPNNTANTGGGLFGANSNSNSGSLFGSNNA QTSRGLFGNNNTNNINNSSSGMNNASAGLFGSKPAGGTSLFGNTSTSSAPAQNQGMFGAK PAGTSLFGNNAGNTTTGGGLFGSKPTGATSLFGSSNNNNNNNNSNNIMSASGGLFGNQQQ QLQQQPQMQCALQNLSQLPITPMTRISELPPQIRQEIEQLDQYIQKQVQISHHLKADTID HDELIDSIPRDVAYLLKSESATSQYLKQDLKKISSFKSLIDEDLLDTQTFSVLLQQLLTP GSKISSNDLDKFFQKKIHLYEKKLEDYCRILSDIETAVNGIDTDLFGAPNNPNSTAITAD LGSSEAENLLQLKTGLAAIVSTVIEEFTLFMDIAERIAVLHQKTKTLASLSI
experiment.sample.molecule[0].mw	3.853
experiment.sample.molecule[0].total_mw	3.853
experiment.sample.molecule[0].number_molecules	1
experiment.sample.molecule[0].complex_state	False
experiment.sample.molecule[0].deuteration	null
experiment.sample.molecule[0].molecule_source	biological
experiment.sample.molecule[0].molecule_description	null
experiment.sample.buffer.name	PBS, 10 mM DTT
experiment.sample.buffer.concentration_unit	null
experiment.sample.buffer.comment	null
experiment.sample.buffer.additive	null
experiment.sample.buffer.concentration	null
experiment.sample.buffer.pka	null
experiment.sample.buffer.ph	7.4
experiment.sample.buffer.deuteration	null
experiment.sample.purity_method	null
experiment.sample.name	Unlabeled nucleoporin NUP49/NSP49 (N49) without denaturant
experiment.sample.ext_coefficient	null
experiment.sample.contrast	null
experiment.sample.specific_vol	null
experiment.sample.dry_vol	null
experiment.sample.absorbption	null
experiment.sample.deuteration	null
experiment.sample.mixture	null
experiment.contributor[0].affiliation[0].short_name	null
experiment.contributor[0].affiliation[0].address	Prague, Czech Republic
experiment.contributor[0].affiliation[0].full_name	Institute of Biotechnology CAS v.v.i.
experiment.contributor[0].affiliation[0].webpage	http://www.ibt.cas.cz/
experiment.contributor[0].contributor_name	Gustavo
experiment.contributor[0].contributor_surname	Fuertes Vives
experiment.contributor[0].orcid	https://orcid.org/0000-0002-8564-8644
experiment.concentration_method	null
experiment.concentration_unit	null
experiment.date	2013-12-08
experiment.storage_temperature	null
experiment.cell_temperature	23.0
experiment.exposure_time	0.05
experiment.number_of_frames	20
experiment.wavelength	0.1
experiment.sample_detector_distance	3.0
experiment.concentration_min	2.0
experiment.concentration_max	10.0
experiment.sample_volume	null
experiment.flow_rate	null
experiment.s_min	0.028
experiment.s_max	4.45
experiment.total_exposure_time	null
experiment.seccolumn	null
fits[0].models[0].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model1_img.png
fits[0].models[0].software	Other
fits[0].models[0].pdb_link	[]
fits[0].models[0].model_title	null
fits[0].models[0].type_of_model	atomic
fits[0].models[0].software_version	CAMPARI
fits[0].models[0].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model1.pdb
fits[0].models[0].model_mw	3.862
fits[0].models[0].bead_radius	null
fits[0].models[0].log	null
fits[0].models[0].symmetry	null
fits[0].models[0].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[0].user	359
fits[0].models[1].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model2_img.png
fits[0].models[1].software	Other
fits[0].models[1].pdb_link	[]
fits[0].models[1].model_title	null
fits[0].models[1].type_of_model	atomic
fits[0].models[1].software_version	CAMPARI
fits[0].models[1].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model2.pdb
fits[0].models[1].model_mw	3.862
fits[0].models[1].bead_radius	null
fits[0].models[1].log	null
fits[0].models[1].symmetry	null
fits[0].models[1].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[1].user	359
fits[0].models[2].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model3_img.png
fits[0].models[2].software	Other
fits[0].models[2].pdb_link	[]
fits[0].models[2].model_title	null
fits[0].models[2].type_of_model	atomic
fits[0].models[2].software_version	CAMPARI
fits[0].models[2].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model3.pdb
fits[0].models[2].model_mw	3.862
fits[0].models[2].bead_radius	null
fits[0].models[2].log	null
fits[0].models[2].symmetry	null
fits[0].models[2].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[2].user	359
fits[0].models[3].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model4_img.png
fits[0].models[3].software	Other
fits[0].models[3].pdb_link	[]
fits[0].models[3].model_title	null
fits[0].models[3].type_of_model	atomic
fits[0].models[3].software_version	CAMPARI
fits[0].models[3].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model4.pdb
fits[0].models[3].model_mw	3.862
fits[0].models[3].bead_radius	null
fits[0].models[3].log	null
fits[0].models[3].symmetry	null
fits[0].models[3].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[3].user	359
fits[0].models[4].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model5_img.png
fits[0].models[4].software	Other
fits[0].models[4].pdb_link	[]
fits[0].models[4].model_title	null
fits[0].models[4].type_of_model	atomic
fits[0].models[4].software_version	CAMPARI
fits[0].models[4].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model5.pdb
fits[0].models[4].model_mw	3.862
fits[0].models[4].bead_radius	null
fits[0].models[4].log	null
fits[0].models[4].symmetry	null
fits[0].models[4].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[4].user	359
fits[0].models[5].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model6_img.png
fits[0].models[5].software	Other
fits[0].models[5].pdb_link	[]
fits[0].models[5].model_title	null
fits[0].models[5].type_of_model	atomic
fits[0].models[5].software_version	CAMPARI
fits[0].models[5].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model6.pdb
fits[0].models[5].model_mw	3.862
fits[0].models[5].bead_radius	null
fits[0].models[5].log	null
fits[0].models[5].symmetry	null
fits[0].models[5].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[5].user	359
fits[0].models[6].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model7_img.png
fits[0].models[6].software	Other
fits[0].models[6].pdb_link	[]
fits[0].models[6].model_title	null
fits[0].models[6].type_of_model	atomic
fits[0].models[6].software_version	CAMPARI
fits[0].models[6].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model7.pdb
fits[0].models[6].model_mw	3.862
fits[0].models[6].bead_radius	null
fits[0].models[6].log	null
fits[0].models[6].symmetry	null
fits[0].models[6].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[6].user	359
fits[0].models[7].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model8_img.png
fits[0].models[7].software	Other
fits[0].models[7].pdb_link	[]
fits[0].models[7].model_title	null
fits[0].models[7].type_of_model	atomic
fits[0].models[7].software_version	CAMPARI
fits[0].models[7].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model8.pdb
fits[0].models[7].model_mw	3.862
fits[0].models[7].bead_radius	null
fits[0].models[7].log	null
fits[0].models[7].symmetry	null
fits[0].models[7].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[7].user	359
fits[0].models[8].model_plot	https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model9_img.png
fits[0].models[8].software	Other
fits[0].models[8].pdb_link	[]
fits[0].models[8].model_title	null
fits[0].models[8].type_of_model	atomic
fits[0].models[8].software_version	CAMPARI
fits[0].models[8].model_data	https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model9.pdb
fits[0].models[8].model_mw	3.862
fits[0].models[8].bead_radius	null
fits[0].models[8].log	null
fits[0].models[8].symmetry	null
fits[0].models[8].comment	p-acetylphenylalanine was replaced with a cysteine.
fits[0].models[8].user	359
fits[0].fit_unit	1/A
fits[0].fit_plot	https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDEH2_fit1_fixed_fit_img.png
fits[0].software	EOM/GAJOE
fits[0].chi_square_value	0.956
fits[0].p_value	0.184774
fits[0].fit_residual_plot	SASDEH2_fit1_fitresiduals_img.png
fits[0].fit_data	https://www.sasbdb.org/media/fitting_files/SASDEH2_fit1.fit
fits[0].fit_log	https://www.sasbdb.org/media/fitting_files/log_files/logFile_001_1_ZF3Islo.log
fits[0].software_version	null
fits[0].description	null
estimated_volume_method	null
pddf_software	ATSAS GNOM
pddf_software_version	5.0
i0_calibration_standard	null
description	The protein contains a penultimate non-canonical amino acid p-acetylphenylalanine (207 Da) that is represented as U (selenocysteine, 168 Da) in the amino acid sequence for the entry. Therefore, the calculated MW from sequence (MW(expected)) must be adjusted accordingly (ca. 40 Da).
experiment_description	null
tags[0]	idp
intensity_unit	arbitrary
experimental_mw	3.9
experimental_mw_error	null
guinier_i0_mw	null
guinier_i0_mw_error	null
porod_mw	null
porod_mw_error	null
pddf_i0	76.16
pddf_i0_error	null
guinier_i0	76.11
guinier_i0_error	0.76
pddf_rg	1.67
pddf_rg_error	0.02
guinier_rg	1.59
guinier_rg_error	0.13
pddf_dmax	6.0
pddf_dmax_error	null
porod_volume	3.67
porod_volume_error	null
estimated_volume	null
estimated_volume_error	null
guinier_point_first	74
guinier_point_last	301
pddf_point_first	null
pddf_point_last	null
i0_calibration_standard_data	null
intensities_log_log_plot	SASDEH2_datloglog_img.png
symmetry	null
last_modified	2023-06-21T07:56:39.492710+02:00
bragg_peak	[]

manifest.json：36 个字段值

字段路径	原始值
code	SASDEH2
status	success
started_at	2026-08-11T13:38:44.322381+00:00
finished_at	2026-08-11T13:38:54.580748+00:00
source_last_modified	2023-06-21T07:56:39.492710+02:00
files[0].status	downloaded
files[0].url	https://www.sasbdb.org/rest-api/entry/summary/SASDEH2/
files[0].path	/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/summary.json
files[0].size	12104
files[0].sha256	730990d0430e6208593b76c8a49bc4382e3c8db28118fd043a17997818c35275
files[1].status	downloaded
files[1].url	https://www.sasbdb.org/media/intensities_files/SASDEH2.dat
files[1].path	/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.dat
files[1].size	77707
files[1].sha256	4c310faf839852ba35e2273907d172c506a0c8d8ef86675e427cf23108682ebe
files[1].role	curve
files[2].status	downloaded
files[2].url	https://www.sasbdb.org/media/p_of_R_files/SASDEH2.out
files[2].path	/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.out
files[2].size	138211
files[2].sha256	d682f69dbc3f27a8e49f8461a8d9fee20155d9f15d074cae95ae6d2c6ebf3ece
files[2].role	pddf
files[3].status	downloaded
files[3].url	https://www.sasbdb.org/media/sascif/sascif_files/SASDEH2.sascif
files[3].path	/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.sascif
files[3].size	744118
files[3].sha256	6e26bd7447baa0470450437dcca9cc9d1e7a5119a5a3cd72ff2a80010f679757
files[3].role	sascif
files[4].status	downloaded
files[4].url	https://www.sasbdb.org/media/zip_directories/SASDEH2.zip
files[4].path	/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.zip
files[4].size	155640
files[4].sha256	0e059702b1590bc3bf6c56602412b4a273d33bed172b2963925213dce8e50b1f
files[4].role	full_entry_zip
files[4].zip_member_count	13
files[4].zip_validation	central_directory_readable

查看完整 summary.json 原文

{
  "code": "SASDEH2",
  "status": "Published",
  "type_of_curve": "Merged",
  "angular_unit": "1/nm",
  "project": {
    "title": "Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.",
    "publication": {
      "title": "Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.",
      "author_list": "Fuertes G, Banterle N, Ruff KM, Chowdhury A, Mercadante D, Koehler C, Kachala M, Estrada Girona G, Milles S, Mishra A, Onck PR, Gräter F, Esteban-Martín S, Pappu RV, Svergun DI, Lemke EA",
      "journal": "Proc Natl Acad Sci U S A",
      "doi": "10.1073/pnas.1704692114",
      "pmid": "28716919",
      "published_date": "2017 Aug 1"
    },
    "status": "released",
    "submitted_date": "2018-08-16",
    "released_date": "2018-08-18"
  },
  "pddf_data": "https://www.sasbdb.org/media/p_of_R_files/SASDEH2.out",
  "intensities_data": "https://www.sasbdb.org/media/intensities_files/SASDEH2.dat",
  "intensities_log_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_dat_img.png",
  "intensities_kratky_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_kratky_img.png",
  "pddf_plot": "https://www.sasbdb.org/media/p_of_R_files/pofr_images/SASDEH2_pofr_img.png",
  "intensities_guinier_plot": "https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDEH2_guinier_img.png",
  "sascif_data": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEH2.sascif",
  "experiment": {
    "instrument": {
      "detector": {
        "type": null,
        "name": "Pilatus 2M",
        "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,
      "line_collimation_integrationwidth": null,
      "xray_energy": null,
      "beam_profile_ah": null,
      "beam_profile_al": null
    },
    "sample": {
      "molecule": [
        {
          "long_name": "Nucleoporin NUP49/NSP49",
          "short_name": "N49",
          "sequence": "> U=4-acetylphenylalanine\r\nGCQTSRGLFGNNNTNNINNSSSGMNNASAGLFGSKPUA",
          "organism": "Saccharomyces cerevisiae",
          "uniprot_code": "Q02199",
          "uniprot_range_first": 121,
          "uniprot_range_last": 154,
          "oligomerization": "monomer",
          "molecular_type": "protein",
          "uniprot_sequence": "MFGLNKASSTPAGGLFGQASGASTGNANTGFSFGGTQTGQNTGPSTGGLFGAKPAGSTGG\nLGASFGQQQQQSQTNAFGGSATTGGGLFGNKPNNTANTGGGLFGANSNSNSGSLFGSNNA\nQTSRGLFGNNNTNNINNSSSGMNNASAGLFGSKPAGGTSLFGNTSTSSAPAQNQGMFGAK\nPAGTSLFGNNAGNTTTGGGLFGSKPTGATSLFGSSNNNNNNNNSNNIMSASGGLFGNQQQ\nQLQQQPQMQCALQNLSQLPITPMTRISELPPQIRQEIEQLDQYIQKQVQISHHLKADTID\nHDELIDSIPRDVAYLLKSESATSQYLKQDLKKISSFKSLIDEDLLDTQTFSVLLQQLLTP\nGSKISSNDLDKFFQKKIHLYEKKLEDYCRILSDIETAVNGIDTDLFGAPNNPNSTAITAD\nLGSSEAENLLQLKTGLAAIVSTVIEEFTLFMDIAERIAVLHQKTKTLASLSI",
          "mw": 3.853,
          "total_mw": 3.853,
          "number_molecules": 1,
          "complex_state": false,
          "deuteration": null,
          "molecule_source": "biological",
          "molecule_description": null
        }
      ],
      "buffer": {
        "name": "PBS, 10 mM DTT",
        "concentration_unit": null,
        "comment": null,
        "additive": null,
        "concentration": null,
        "pka": null,
        "ph": 7.4,
        "deuteration": null
      },
      "purity_method": null,
      "name": "Unlabeled nucleoporin NUP49/NSP49 (N49) without denaturant",
      "ext_coefficient": null,
      "contrast": null,
      "specific_vol": null,
      "dry_vol": null,
      "absorbption": null,
      "deuteration": null,
      "mixture": null
    },
    "contributor": [
      {
        "affiliation": [
          {
            "short_name": null,
            "address": "Prague, Czech Republic",
            "full_name": "Institute of Biotechnology CAS v.v.i.",
            "webpage": "http://www.ibt.cas.cz/"
          }
        ],
        "contributor_name": "Gustavo",
        "contributor_surname": "Fuertes Vives",
        "orcid": "https://orcid.org/0000-0002-8564-8644"
      }
    ],
    "concentration_method": null,
    "concentration_unit": null,
    "date": "2013-12-08",
    "storage_temperature": null,
    "cell_temperature": 23.0,
    "exposure_time": 0.05,
    "number_of_frames": 20,
    "wavelength": 0.1,
    "sample_detector_distance": 3.0,
    "concentration_min": 2.0,
    "concentration_max": 10.0,
    "sample_volume": null,
    "flow_rate": null,
    "s_min": 0.028,
    "s_max": 4.45,
    "total_exposure_time": null,
    "seccolumn": null
  },
  "fits": [
    {
      "models": [
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model1_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model1.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model2_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model2.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model3_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model3.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model4_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model4.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model5_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model5.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model6_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model6.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model7_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model7.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model8_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model8.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        },
        {
          "model_plot": "https://www.sasbdb.org/media/pdb_file/images/SASDEH2_fit1_model9_img.png",
          "software": "Other",
          "pdb_link": [],
          "model_title": null,
          "type_of_model": "atomic",
          "software_version": "CAMPARI",
          "model_data": "https://www.sasbdb.org/media/pdb_file/SASDEH2_fit1_model9.pdb",
          "model_mw": 3.862,
          "bead_radius": null,
          "log": null,
          "symmetry": null,
          "comment": "p-acetylphenylalanine was replaced with a cysteine.",
          "user": 359
        }
      ],
      "fit_unit": "1/A",
      "fit_plot": "https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDEH2_fit1_fixed_fit_img.png",
      "software": "EOM/GAJOE",
      "chi_square_value": 0.956,
      "p_value": 0.184774,
      "fit_residual_plot": "SASDEH2_fit1_fitresiduals_img.png",
      "fit_data": "https://www.sasbdb.org/media/fitting_files/SASDEH2_fit1.fit",
      "fit_log": "https://www.sasbdb.org/media/fitting_files/log_files/logFile_001_1_ZF3Islo.log",
      "software_version": null,
      "description": null
    }
  ],
  "estimated_volume_method": null,
  "pddf_software": "ATSAS GNOM",
  "pddf_software_version": "5.0",
  "i0_calibration_standard": null,
  "description": "The protein contains a penultimate non-canonical amino acid p-acetylphenylalanine (207 Da) that is represented as U (selenocysteine, 168 Da) in the amino acid sequence for the entry. Therefore, the calculated MW from sequence (MW(expected)) must be adjusted accordingly (ca. 40 Da).",
  "experiment_description": null,
  "tags": [
    "idp"
  ],
  "intensity_unit": "arbitrary",
  "experimental_mw": 3.9,
  "experimental_mw_error": null,
  "guinier_i0_mw": null,
  "guinier_i0_mw_error": null,
  "porod_mw": null,
  "porod_mw_error": null,
  "pddf_i0": 76.16,
  "pddf_i0_error": null,
  "guinier_i0": 76.11,
  "guinier_i0_error": 0.76,
  "pddf_rg": 1.67,
  "pddf_rg_error": 0.02,
  "guinier_rg": 1.59,
  "guinier_rg_error": 0.13,
  "pddf_dmax": 6.0,
  "pddf_dmax_error": null,
  "porod_volume": 3.67,
  "porod_volume_error": null,
  "estimated_volume": null,
  "estimated_volume_error": null,
  "guinier_point_first": 74,
  "guinier_point_last": 301,
  "pddf_point_first": null,
  "pddf_point_last": null,
  "i0_calibration_standard_data": null,
  "intensities_log_log_plot": "SASDEH2_datloglog_img.png",
  "symmetry": null,
  "last_modified": "2023-06-21T07:56:39.492710+02:00",
  "bragg_peak": []
}

查看完整 manifest.json 原文

{
  "code": "SASDEH2",
  "status": "success",
  "started_at": "2026-08-11T13:38:44.322381+00:00",
  "finished_at": "2026-08-11T13:38:54.580748+00:00",
  "source_last_modified": "2023-06-21T07:56:39.492710+02:00",
  "files": [
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/rest-api/entry/summary/SASDEH2/",
      "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/summary.json",
      "size": 12104,
      "sha256": "730990d0430e6208593b76c8a49bc4382e3c8db28118fd043a17997818c35275"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/intensities_files/SASDEH2.dat",
      "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.dat",
      "size": 77707,
      "sha256": "4c310faf839852ba35e2273907d172c506a0c8d8ef86675e427cf23108682ebe",
      "role": "curve"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/p_of_R_files/SASDEH2.out",
      "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.out",
      "size": 138211,
      "sha256": "d682f69dbc3f27a8e49f8461a8d9fee20155d9f15d074cae95ae6d2c6ebf3ece",
      "role": "pddf"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/sascif/sascif_files/SASDEH2.sascif",
      "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.sascif",
      "size": 744118,
      "sha256": "6e26bd7447baa0470450437dcca9cc9d1e7a5119a5a3cd72ff2a80010f679757",
      "role": "sascif"
    },
    {
      "status": "downloaded",
      "url": "https://www.sasbdb.org/media/zip_directories/SASDEH2.zip",
      "path": "/data/saxsdb/sasbdb/entries/h2/sasdeh2/source/SASDEH2.zip",
      "size": 155640,
      "sha256": "0e059702b1590bc3bf6c56602412b4a273d33bed172b2963925213dce8e50b1f",
      "role": "full_entry_zip",
      "zip_member_count": 13,
      "zip_validation": "central_directory_readable"
    }
  ]
}

标题	Decoupling of size and shape fluctuations in heteropolymeric sequences reconciles discrepancies in SAXS vs. FRET measurements.
作者	Fuertes G, Banterle N, Ruff KM, Chowdhury A, Mercadante D, Koehler C, Kachala M, Estrada Girona G, Milles S, Mishra A, Onck PR, Gräter F, Esteban-Martín S, Pappu RV, Svergun DI, Lemke EA
DOI / PMID	10.1073/pnas.1704692114 / 28716919