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 | 1mxk |
| 沉积日期 deposition_date | 2002-10-02 |
| 结构标题 title | NMR Structure of HO2-Co(III)bleomycin A(2) Bound to d(GGAAGCTTCC)(2) |
| 关键词 keywords | DRUG-DNA COMPLEX, COBALT(III), DNA; DNA |
| 实验方法 method | SOLUTION NMR |
| 回转半径 Rg (Guinier) rg_guinier | 12.70 Å |
| 回转半径 Rg (电子) rg_electron | 12.03 Å |
| 零角强度 I(0) i0 | 2750590.00 |
| 分子量 molecular_weight | 7582.0 kDa |
| 排除体积 excluded_volume | 7594 ų |
| 包络体积 envelope_volume | 9489 ų |
| 水化壳体积 shell_volume | 7330 ų |
| 包络直径 envelope_diameter | 40.3 Å |
| 壳层 Rg shell_rg | 16.40 Å |
| 包络 Rg envelope_rg | 12.29 Å |
| 形状 Rg shape_rg | 11.95 Å |
| 总 Rg total_rg | 12.88 Å |
| 总原子数 total_atoms | 815 |
| 残基数 n_residues | 20 |
| 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 | 42.0 Å |
| Rg (实空间) rg_real | 12.68 Å |
| Rg 误差 (实空间) rg_real_error | 0.29 Å |
| I(0) (实空间) i0_real | 2.7510e+06 |
| I(0) 误差 (实空间) i0_real_error | 2.8570e+04 |
| Rg (倒空间) rg_reciprocal | 12.68 Å |
| I(0) (倒空间) i0_reciprocal | 2751000.0000 |
| 解质量估计 total_estimate | 0.8959 |
| 解质量评级 solution_quality |
GOOD
a GOOD solution
|
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 15.4 Å |
| 偏度 Skewness skewness | 0.270 |
| 峰度 Kurtosis kurtosis | -0.352 |
| 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 | 117100.0000 |
| 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: 0.893;
Stabil: 1.000;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 0.977;
Smooth: 0.986
|
Entity 1
polymer
| 描述 description | 5'-D(*GP*GP*AP*AP*GP*CP*TP*TP*CP*C)-3' |
| 分子量 formula_weight | 3045.0 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 |
| 链编号 strand_id | A,B |
| 原子数 atom_count | 815 |
GGAAGCTTCC
Entity 2
non-polymer
| 描述 description | COBALT (III) ION |
| 分子量 formula_weight | 58.9 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 1 |
Entity 3
non-polymer
| 描述 description | HYDROGEN PEROXIDE |
| 分子量 formula_weight | 34.0 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 1 |
Entity 4
non-polymer
| 描述 description | BLEOMYCIN A2 |
| 分子量 formula_weight | 1416.6 kDa |
| 来源方法 src_method | syn |
| 拷贝数 entity_count | 1 |
;Structures of HO(2)-Co(III)bleomycin A(2) Bound to d(GAGCTC)(2) and d(GGAAGCTTCC)(2): Structure-Reactivity Relationships of Co and Fe Bleomycins
;
J.Inorg.Biochem. (2002)
Files (7)
- pr_distribution /app/data/pr_computation/mx/1mxk/pr_distribution.json
- pr_output /app/data/pr_computation/mx/1mxk/1mxk.pr.out
- pr_plot /app/data/visualization/pr_computation/mx/1mxk/1mxk_pr_distribution.png
- saxs_curve_dat /app/data/saxs_computation/mx/1mxk/1mxk.dat
- saxs_fit /app/data/saxs_computation/mx/1mxk/1mxk.fit
- saxs_log /app/data/saxs_computation/mx/1mxk/1mxk.log
- saxs_plot /app/data/visualization/saxs_computation/mx/1mxk/1mxk_saxs_profile.png
Curves (3)
| fit |
/app/data/saxs_computation/mx/1mxk/1mxk.fit |
| pddf |
/app/data/pr_computation/mx/1mxk/1mxk.pr.out |
| profile |
/app/data/saxs_computation/mx/1mxk/1mxk.dat |