2adn
Solution structure of the bacterial antitoxin CcdA: Implications for DNA and toxin binding
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
1. 结构基本信息 1. Structure Basics
| 条目编号 entry_id | 2adn |
| 沉积日期 deposition_date | 2005-07-20 |
| 结构标题 title | Solution structure of the bacterial antitoxin CcdA: Implications for DNA and toxin binding |
| 关键词 keywords | ribbon-helix-helix, DNA BINDING PROTEIN; DNA BINDING PROTEIN |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 19.36 Å |
| 回转半径 Rg (电子) rg_electron | 18.50 Å |
| 零角强度 I(0) i0 | 6164800.00 |
| 分子量 molecular_weight | 16797.0 kDa |
| 排除体积 excluded_volume | 20658 ų |
| 包络体积 envelope_volume | 30569 ų |
| 水化壳体积 shell_volume | 14732 ų |
| 包络直径 envelope_diameter | 69.3 Å |
| 壳层 Rg shell_rg | 23.49 Å |
| 包络 Rg envelope_rg | 18.98 Å |
| 形状 Rg shape_rg | 18.52 Å |
| 总 Rg total_rg | 19.38 Å |
| 总原子数 total_atoms | 2326 |
| 残基数 n_residues | 144 |
| 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 |
3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 70.4 Å |
| Rg (实空间) rg_real | 19.38 Å |
| Rg 误差 (实空间) rg_real_error | 0.66 Å |
| I(0) (实空间) i0_real | 6.1650e+06 |
| I(0) 误差 (实空间) i0_real_error | 8.9150e+04 |
| Rg (倒空间) rg_reciprocal | 19.37 Å |
| I(0) (倒空间) i0_reciprocal | 6165000.0000 |
| 解质量估计 total_estimate | 0.8354 |
| 解质量评级 solution_quality | GOOD a GOOD solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 69.5 Å |
| 偏度 Skewness skewness | 0.412 |
| 峰度 Kurtosis kurtosis | -0.047 |
| 角度范围 angular_range | — – 0.4100 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 1121000.0000 |
| 实空间数据点数 n_real_points | 72 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.662; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.878; Smooth: 0.991 |