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 | 1q2t |
| 沉积日期 deposition_date | 2003-07-26 |
| 结构标题 title | Solution structure of d(5mCCTCTCC)4 |
| 关键词 keywords | DNA solution structure; i-motif; protonated cytidine; hemiprotonated base-pairs, DNA; DNA |
| 实验方法 method | SOLUTION NMR |
| 回转半径 Rg (Guinier) rg_guinier | 12.41 Å |
| 回转半径 Rg (电子) rg_electron | 11.91 Å |
| 零角强度 I(0) i0 | 2950230.00 |
| 分子量 molecular_weight | 8050.0 kDa |
| 排除体积 excluded_volume | 8164 ų |
| 包络体积 envelope_volume | 9428 ų |
| 水化壳体积 shell_volume | 7450 ų |
| 包络直径 envelope_diameter | 42.4 Å |
| 壳层 Rg shell_rg | 16.33 Å |
| 包络 Rg envelope_rg | 12.25 Å |
| 形状 Rg shape_rg | 11.85 Å |
| 总 Rg total_rg | 12.73 Å |
| 总原子数 total_atoms | 872 |
| 残基数 n_residues | 24 |
| 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 | 44.1 Å |
| Rg (实空间) rg_real | 12.46 Å |
| Rg 误差 (实空间) rg_real_error | 0.33 Å |
| I(0) (实空间) i0_real | 2.9500e+06 |
| I(0) 误差 (实空间) i0_real_error | 3.0790e+04 |
| Rg (倒空间) rg_reciprocal | 12.46 Å |
| I(0) (倒空间) i0_reciprocal | 2950000.0000 |
| 解质量估计 total_estimate | 0.6920 |
| 解质量评级 solution_quality |
REASONABLE
a REASONABLE solution
|
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 13.4 Å |
| 偏度 Skewness skewness | 0.493 |
| 峰度 Kurtosis kurtosis | -0.112 |
| 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 | 458800.0000 |
| 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: 0.697;
Stabil: 1.000;
Sysdev: 0.368;
Positv: 1.000;
Valcen: 0.835;
Smooth: 0.964
|
Entity 1
polymer
| 描述 description | 5'-D(*(MCY)P*CP*TP*CP*TP*CP*C)-3' |
| 分子量 formula_weight | 1943.4 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 4 |
聚合体 Polymer
| 聚合体类型 type | polydeoxyribonucleotide |
| 链编号 strand_id | A,B,C,D |
| 原子数 atom_count | 872 |
CCTCTCC
T.T pair intercalation and duplex inter-conversion within i-motif tetramers
J.Mol.Biol. (2003)
Structure and conversion kinetics of a bi-stable DNA i-motif: broken symmetry in the [d(5mCCTCC)]4 tetramer.
J.Mol.Biol. (1996)
Files (7)
- pr_distribution /app/data/pr_computation/q2/1q2t/pr_distribution.json
- pr_output /app/data/pr_computation/q2/1q2t/1q2t.pr.out
- pr_plot /app/data/visualization/pr_computation/q2/1q2t/1q2t_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/q2/1q2t/1q2t.dat
- saxs_fit /app/data/saxs_computation/q2/1q2t/1q2t.fit
- saxs_log /app/data/saxs_computation/q2/1q2t/1q2t.log
- saxs_plot /app/data/visualization/saxs_computation/q2/1q2t/1q2t_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/q2/1q2t/1q2t.fit |
| pddf |
/app/data/pr_computation/q2/1q2t/1q2t.pr.out |
| profile |
/app/data/saxs_computation/q2/1q2t/1q2t.dat |