SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
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| 条目编号 entry_id | 23jy |
| 沉积日期 deposition_date | 2026-02-09 |
| 结构标题 title | pre-miR-6074 internal loop |
| 关键词 keywords | pre-miR-6074, RNA; RNA |
| 实验方法 method | X-RAY DIFFRACTION |
| 回转半径 Rg (Guinier) rg_guinier | 17.10 Å |
| 回转半径 Rg (电子) rg_electron | 16.93 Å |
| 零角强度 I(0) i0 | 8984950.00 |
| 分子量 molecular_weight | 12990.0 kDa |
| 排除体积 excluded_volume | 12097 ų |
| 包络体积 envelope_volume | 18278 ų |
| 水化壳体积 shell_volume | 10628 ų |
| 包络直径 envelope_diameter | 60.4 Å |
| 壳层 Rg shell_rg | 20.54 Å |
| 包络 Rg envelope_rg | 16.65 Å |
| 形状 Rg shape_rg | 16.84 Å |
| 总 Rg total_rg | 17.46 Å |
| 总原子数 total_atoms | 856 |
| 残基数 n_residues | 40 |
| 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 | 47.4 Å |
| Rg (实空间) rg_real | 16.39 Å |
| Rg 误差 (实空间) rg_real_error | 0.09 Å |
| I(0) (实空间) i0_real | 8.6090e+06 |
| I(0) 误差 (实空间) i0_real_error | 7.9140e+04 |
| Rg (倒空间) rg_reciprocal | 17.24 Å |
| I(0) (倒空间) i0_reciprocal | 8985000.0000 |
| 解质量估计 total_estimate | 0.6625 |
| 解质量评级 solution_quality |
REASONABLE
a REASONABLE solution
|
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 16.9 Å |
| 偏度 Skewness skewness | 0.466 |
| 峰度 Kurtosis kurtosis | -0.325 |
| 角度范围 angular_range | — – 0.4650 Å−1 |
| 当前正则化参数 α current_alpha | 5.1370 |
| 最高正则化参数 α highest_alpha | 722000.0000 |
| 实空间数据点数 n_real_points | 77 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria |
AN1: 0.000;
Oscil: 0.893;
Stabil: 0.980;
Sysdev: 0.000;
Positv: 1.000;
Valcen: 0.993;
Smooth: 0.000
|
晶胞参数 Unit Cell
| 晶胞边长 a length_a | 66.662 Å |
| 晶胞边长 b length_b | 66.662 Å |
| 晶胞边长 c length_c | 53.348 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 | 120.00 ° |
| 晶胞分子数 Z z_pdb | 12 |
对称性 Symmetry
| 空间群 space_group | P 61 |
| 空间群编号 int_tables_number | 169 |
| 晶系 crystal_system | — |
精修参数 Refinement
| 分辨率 resolution | 2.800 Å |
| 最低分辨率 resolution_low | 28.870 Å |
| R 因子 r_factor | 0.1962 |
| R_work r_work | 0.1906 |
| R_free r_free | 0.2447 |
衍射实验 Diffraction
Entity 1
polymer
| 描述 description | ;RNA (5'-R(*UP*UP*GP*CP*GP*GP*AP*UP*AP*CP*CP*CP*GP*GP*GP*UP*UP*GP*CP*CP*GP*C)-3')
; |
| 分子量 formula_weight | 7042.2 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 2 |
聚合体 Polymer
| 聚合体类型 type | polyribonucleotide |
| 链编号 strand_id | A,B |
| 原子数 atom_count | 863 |
UUGCGGAUACCCGGGUUGCCGC
Entity 2
water
| 描述 description | water |
| 分子量 formula_weight | 18.0 kDa |
| 来源方法 src_method | nat |
| 拷贝数 entity_count | 7 |
RNA-binding landscape of amiloride: large-scale profiling and structural basis of U-U mismatch recognition.
Rsc Chem Biol (2026)
Files (7)
- pr_distribution /app/data/pr_computation/3j/23jy/pr_distribution.json
- pr_output /app/data/pr_computation/3j/23jy/23jy.pr.out
- pr_plot /app/data/visualization/pr_computation/3j/23jy/23jy_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/3j/23jy/23jy.dat
- saxs_fit /app/data/saxs_computation/3j/23jy/23jy.fit
- saxs_log /app/data/saxs_computation/3j/23jy/23jy.log
- saxs_plot /app/data/visualization/saxs_computation/3j/23jy/23jy_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/3j/23jy/23jy.fit |
| pddf |
/app/data/pr_computation/3j/23jy/23jy.pr.out |
| profile |
/app/data/saxs_computation/3j/23jy/23jy.dat |