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 | 1hg9 |
| 沉积日期 deposition_date | 2000-12-13 |
| 结构标题 title | Solution structure of DNA:RNA hybrid |
| 关键词 keywords | DNA-RNA HYBRID, DNA RNA HYBRID, DNA/RNA CHIMERIC HYBRID DUPLEX, ANTISENSE, LOCKED NUCLEIC ACID, DNA, RNA, HYBRID, RNASE H; DNA-RNA HYBRID |
| 实验方法 method | SOLUTION NMR |
| 回转半径 Rg (Guinier) rg_guinier | 10.58 Å |
| 回转半径 Rg (电子) rg_electron | 10.54 Å |
| 零角强度 I(0) i0 | 1958810000.00 |
| 分子量 molecular_weight | 222670.0 kDa |
| 排除体积 excluded_volume | 214260 ų |
| 包络体积 envelope_volume | 9266 ų |
| 水化壳体积 shell_volume | 7528 ų |
| 包络直径 envelope_diameter | 37.9 Å |
| 壳层 Rg shell_rg | 15.97 Å |
| 包络 Rg envelope_rg | 11.35 Å |
| 形状 Rg shape_rg | 10.38 Å |
| 总 Rg total_rg | 10.84 Å |
| 总原子数 total_atoms | 22920 |
| 残基数 n_residues | 720 |
| 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 | 32.0 Å |
| Rg (实空间) rg_real | 10.53 Å |
| Rg 误差 (实空间) rg_real_error | 0.23 Å |
| I(0) (实空间) i0_real | 1.9590e+09 |
| I(0) 误差 (实空间) i0_real_error | 2.0330e+07 |
| Rg (倒空间) rg_reciprocal | 10.54 Å |
| I(0) (倒空间) i0_reciprocal | 1959000000.0000 |
| 解质量估计 total_estimate | 0.9058 |
| 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 | 14.2 Å |
| 偏度 Skewness skewness | 0.142 |
| 峰度 Kurtosis kurtosis | -0.347 |
| 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 | 32670.0000 |
| 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: 0.936;
Stabil: 1.000;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 1.000;
Smooth: 0.963
|
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 | 1 |
对称性 Symmetry
| 空间群 space_group | P 1 |
| 空间群编号 int_tables_number | 1 |
| 晶系 crystal_system | — |
Entity 1
polymer
| 描述 description | 5- D(*CP*TP*GP*AP*TP*AP*TP*GP*C) -3 |
| 分子量 formula_weight | 2730.8 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 1 |
聚合体 Polymer
| 聚合体类型 type | polydeoxyribonucleotide |
| 链编号 strand_id | A |
| 原子数 atom_count | 22920 |
CTGATATGC
Entity 2
polymer
| 描述 description | 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 |
| 分子量 formula_weight | 2855.8 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 1 |
聚合体 Polymer
| 聚合体类型 type | polyribonucleotide |
| 链编号 strand_id | B |
GCAUAUCAG
Structural studies of LNA:RNA duplexes by NMR: conformations and implications for RNase H activity.
Chemistry (2000)
Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids
J.Am.Chem.Soc. (2002)
The Conformations of Locked Nucleic Acids (Lna)
J.Mol.Recognit. (2000)
Files (7)
- pr_distribution /app/data/pr_computation/hg/1hg9/pr_distribution.json
- pr_output /app/data/pr_computation/hg/1hg9/1hg9.pr.out
- pr_plot /app/data/visualization/pr_computation/hg/1hg9/1hg9_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/hg/1hg9/1hg9.dat
- saxs_fit /app/data/saxs_computation/hg/1hg9/1hg9.fit
- saxs_log /app/data/saxs_computation/hg/1hg9/1hg9.log
- saxs_plot /app/data/visualization/saxs_computation/hg/1hg9/1hg9_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/hg/1hg9/1hg9.fit |
| pddf |
/app/data/pr_computation/hg/1hg9/1hg9.pr.out |
| profile |
/app/data/saxs_computation/hg/1hg9/1hg9.dat |