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 | 9b3a |
| 沉积日期 deposition_date | 2024-03-18 |
| 结构标题 title | filament of type 1 KD-mxyl 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 | 23.90 Å |
| 回转半径 Rg (电子) rg_electron | 23.02 Å |
| 零角强度 I(0) i0 | 32635600.00 |
| 分子量 molecular_weight | 47743.0 kDa |
| 排除体积 excluded_volume | 61538 ų |
| 包络体积 envelope_volume | 70441 ų |
| 水化壳体积 shell_volume | 25491 ų |
| 包络直径 envelope_diameter | 74.0 Å |
| 壳层 Rg shell_rg | 30.31 Å |
| 包络 Rg envelope_rg | 23.31 Å |
| 形状 Rg shape_rg | 23.09 Å |
| 总 Rg total_rg | 23.74 Å |
| 总原子数 total_atoms | 3345 |
| 残基数 n_residues | 420 |
| 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 | 71.1 Å |
| Rg (实空间) rg_real | 23.84 Å |
| Rg 误差 (实空间) rg_real_error | 0.30 Å |
| I(0) (实空间) i0_real | 3.2640e+07 |
| I(0) 误差 (实空间) i0_real_error | 4.0010e+05 |
| Rg (倒空间) rg_reciprocal | 23.85 Å |
| I(0) (倒空间) i0_reciprocal | 32640000.0000 |
| 解质量估计 total_estimate | 0.9156 |
| 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 | 26.7 Å |
| 偏度 Skewness skewness | 0.228 |
| 峰度 Kurtosis kurtosis | -0.609 |
| 角度范围 angular_range | — – 0.3300 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 6802000.0000 |
| 实空间数据点数 n_real_points | 65 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria |
AN1: 0.000;
Oscil: 0.975;
Stabil: 1.000;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 1.000;
Smooth: 0.975
|
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 | 69100 |
Entity 1
polymer
| 描述 description | Microtubule-associated protein tau |
| 分子量 formula_weight | 2242.6 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 | A,C,E,G,I,K,M,O,Q,S,U,W,Y,a,c |
| 原子数 atom_count | 3345 |
XCDNIKHVPGGGSVQIVYKPVC
Entity 2
polymer
| 描述 description | SER-VAL-GLN-ILE-VAL-TYR-LYS |
| 分子量 formula_weight | 837.0 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 | B,D,F,H,J,L,N,P,R,T,V,X,Z,b,d |
SVQIVYK
Entity 3
non-polymer
| 描述 description | AMINO GROUP |
| 分子量 formula_weight | 16.0 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 15 |
Entity 4
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/b3/9b3a/pr_distribution.json
- pr_output /app/data/pr_computation/b3/9b3a/9b3a.pr.out
- pr_plot /app/data/visualization/pr_computation/b3/9b3a/9b3a_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/b3/9b3a/9b3a.dat
- saxs_fit /app/data/saxs_computation/b3/9b3a/9b3a.fit
- saxs_log /app/data/saxs_computation/b3/9b3a/9b3a.log
- saxs_plot /app/data/visualization/saxs_computation/b3/9b3a/9b3a_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/b3/9b3a/9b3a.fit |
| pddf |
/app/data/pr_computation/b3/9b3a/9b3a.pr.out |
| profile |
/app/data/saxs_computation/b3/9b3a/9b3a.dat |