SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
下载 Download
| 条目编号 entry_id | 9dme |
| 沉积日期 deposition_date | 2024-09-13 |
| 结构标题 title | Type 3 KD-mxyl filament of miniature tau macrocycle derived from 4R tauopathic fold |
| 关键词 keywords | tauopathies, neurodegenerative disorders, seed-competent miniature tau macrocycle, PROTEIN FIBRIL; PROTEIN FIBRIL |
| 实验方法 method | ELECTRON MICROSCOPY |
| 回转半径 Rg (Guinier) rg_guinier | 22.22 Å |
| 回转半径 Rg (电子) rg_electron | 20.98 Å |
| 零角强度 I(0) i0 | 19684600.00 |
| 分子量 molecular_weight | 35443.0 kDa |
| 排除体积 excluded_volume | 45179 ų |
| 包络体积 envelope_volume | 50724 ų |
| 水化壳体积 shell_volume | 20738 ų |
| 包络直径 envelope_diameter | 66.0 Å |
| 壳层 Rg shell_rg | 27.28 Å |
| 包络 Rg envelope_rg | 21.23 Å |
| 形状 Rg shape_rg | 21.06 Å |
| 总 Rg total_rg | 21.60 Å |
| 总原子数 total_atoms | 2475 |
| 残基数 n_residues | 315 |
| 球谐函数阶数 n_harmonics | 20 |
| q 范围 q_range | — – 0.5000 Å−1 |
| 数据点数 n_points | 101 |
| 壳层类型 shell_type | directional |
| 溶剂电子密度 solvent_density | 0.3340 e/ų |
| 壳层衬度 contrast_shell | 0.0300 e/ų |
| CRYSOL 版本 crysol_version | 4.1.3 |
| 最大尺寸 Dmax dmax | 66.1 Å |
| Rg (实空间) rg_real | 22.18 Å |
| Rg 误差 (实空间) rg_real_error | 0.36 Å |
| I(0) (实空间) i0_real | 1.9680e+07 |
| I(0) 误差 (实空间) i0_real_error | 2.4550e+05 |
| Rg (倒空间) rg_reciprocal | 22.19 Å |
| I(0) (倒空间) i0_reciprocal | 19680000.0000 |
| 解质量估计 total_estimate | 0.9153 |
| 解质量评级 solution_quality |
EXCELLENT
a EXCELLENT solution
|
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 22.7 Å |
| 偏度 Skewness skewness | 0.188 |
| 峰度 Kurtosis kurtosis | -0.706 |
| 角度范围 angular_range | — – 0.3600 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 2249000.0000 |
| 实空间数据点数 n_real_points | 68 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria |
AN1: 0.000;
Oscil: 0.983;
Stabil: 0.999;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 0.992;
Smooth: 0.955
|
晶胞参数 Unit Cell
| 晶胞边长 a length_a | 1.000 Å |
| 晶胞边长 b length_b | 1.000 Å |
| 晶胞边长 c length_c | 1.000 Å |
| 晶胞夹角 α angle_alpha | 90.00 ° |
| 晶胞夹角 β angle_beta | 90.00 ° |
| 晶胞夹角 γ angle_gamma | 90.00 ° |
| 晶胞分子数 Z z_pdb | — |
对称性 Symmetry
| 空间群 space_group | P 1 |
| 空间群编号 int_tables_number | 1 |
| 晶系 crystal_system | — |
冷冻电镜 EM 3D
| 分辨率 resolution | 3.20 Å |
| 分辨率测定方法 resolution_method | — |
| 颗粒数 num_particles | 64477 |
Entity 1
polymer
| 描述 description | Microtubule-associated protein tau |
| 分子量 formula_weight | 2240.6 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 15 |
聚合体 Polymer
| 聚合体类型 type | polypeptide(L) |
| 链编号 strand_id | J,L,A,C,D,F,G,I,M,O,K,N,E,B,H |
| 原子数 atom_count | 2475 |
XCDNIKHVPGGGSVQIVYKPVCX
Entity 2
non-polymer
| 描述 description | 1,3-dimethylbenzene |
| 分子量 formula_weight | 106.2 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 15 |
Macrocyclic beta-arch peptides that mimic the structure and function of disease-associated tau folds.
Nat.Chem. (2025)
Files (7)
- pr_distribution /app/data/pr_computation/dm/9dme/pr_distribution.json
- pr_output /app/data/pr_computation/dm/9dme/9dme.pr.out
- pr_plot /app/data/visualization/pr_computation/dm/9dme/9dme_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/dm/9dme/9dme.dat
- saxs_fit /app/data/saxs_computation/dm/9dme/9dme.fit
- saxs_log /app/data/saxs_computation/dm/9dme/9dme.log
- saxs_plot /app/data/visualization/saxs_computation/dm/9dme/9dme_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/dm/9dme/9dme.fit |
| pddf |
/app/data/pr_computation/dm/9dme/9dme.pr.out |
| profile |
/app/data/saxs_computation/dm/9dme/9dme.dat |