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 | 1l3m |
| 沉积日期 deposition_date | 2002-02-28 |
| 结构标题 title | The Solution Structure of [d(CGC)r(amamam)d(TTTGCG)]2 |
| 关键词 keywords | ;DNA/RNA HYBRID, CHIMERIC DUPLEX, 2'O-methyl, DNA-RNA complex
;; DNA/RNA |
| 实验方法 method | SOLUTION NMR |
| 回转半径 Rg (Guinier) rg_guinier | 13.83 Å |
| 回转半径 Rg (电子) rg_electron | 13.69 Å |
| 零角强度 I(0) i0 | 217880000.00 |
| 分子量 molecular_weight | 74912.0 kDa |
| 排除体积 excluded_volume | 73270 ų |
| 包络体积 envelope_volume | 15674 ų |
| 水化壳体积 shell_volume | 9776 ų |
| 包络直径 envelope_diameter | 48.2 Å |
| 壳层 Rg shell_rg | 19.26 Å |
| 包络 Rg envelope_rg | 14.54 Å |
| 形状 Rg shape_rg | 13.53 Å |
| 总 Rg total_rg | 14.07 Å |
| 总原子数 total_atoms | 7840 |
| 残基数 n_residues | 180 |
| 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 | 44.6 Å |
| Rg (实空间) rg_real | 13.85 Å |
| Rg 误差 (实空间) rg_real_error | 0.36 Å |
| I(0) (实空间) i0_real | 2.1790e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.5430e+06 |
| Rg (倒空间) rg_reciprocal | 13.85 Å |
| I(0) (倒空间) i0_reciprocal | 217900000.0000 |
| 解质量估计 total_estimate | 0.8137 |
| 解质量评级 solution_quality |
GOOD
a GOOD solution
|
| P(r) 峰数 n_peaks | 3 |
| 主峰位置 r_peak_primary | 18.6 Å |
| 偏度 Skewness skewness | 0.249 |
| 峰度 Kurtosis kurtosis | -0.556 |
| 角度范围 angular_range | — – 0.5000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 69930.0000 |
| 实空间数据点数 n_real_points | 80 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria |
AN1: 0.000;
Oscil: 0.887;
Stabil: 1.000;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 0.913;
Smooth: 0.000
|
Entity 1
polymer
| 描述 description | 5'-D(*CP*GP*C)-R(P*(A39)P*(A39)P*(A39))-D(P*TP*TP*TP*GP*CP*G)-3' |
| 分子量 formula_weight | 3752.5 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 2 |
聚合体 Polymer
| 聚合体类型 type | polydeoxyribonucleotide/polyribonucleotide hybrid |
| 链编号 strand_id | A,B |
| 原子数 atom_count | 7840 |
CGCAAATTTGCG
The solution structure of [d(CGC)r(amamam)d(TTTGCG)]2.
J.Biomol.NMR (2001)
Files (7)
- pr_distribution /app/data/pr_computation/l3/1l3m/pr_distribution.json
- pr_output /app/data/pr_computation/l3/1l3m/1l3m.pr.out
- pr_plot /app/data/visualization/pr_computation/l3/1l3m/1l3m_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/l3/1l3m/1l3m.dat
- saxs_fit /app/data/saxs_computation/l3/1l3m/1l3m.fit
- saxs_log /app/data/saxs_computation/l3/1l3m/1l3m.log
- saxs_plot /app/data/visualization/saxs_computation/l3/1l3m/1l3m_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/l3/1l3m/1l3m.fit |
| pddf |
/app/data/pr_computation/l3/1l3m/1l3m.pr.out |
| profile |
/app/data/saxs_computation/l3/1l3m/1l3m.dat |