1qbp
CRYSTAL STRUCTURE OF A BROMINATED RNA HELIX WITH FOUR MISMATCHED BASE PAIRS
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 | 1qbp |
| 沉积日期 deposition_date | 1999-04-26 |
| 结构标题 title | CRYSTAL STRUCTURE OF A BROMINATED RNA HELIX WITH FOUR MISMATCHED BASE PAIRS |
| 关键词 keywords | BROMINATED CYTOSINE, MISMATCHED BASE PAIRS, RNA; RNA |
| 实验方法 method | X-RAY DIFFRACTION |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 33.78 Å |
| 回转半径 Rg (电子) rg_electron | 34.76 Å |
| 零角强度 I(0) i0 | 39295600.00 |
| 分子量 molecular_weight | 28131.0 kDa |
| 排除体积 excluded_volume | 25646 ų |
| 包络体积 envelope_volume | 44436 ų |
| 水化壳体积 shell_volume | 13810 ų |
| 包络直径 envelope_diameter | 122.3 Å |
| 壳层 Rg shell_rg | 31.55 Å |
| 包络 Rg envelope_rg | 34.77 Å |
| 形状 Rg shape_rg | 34.73 Å |
| 总 Rg total_rg | 34.64 Å |
| 总原子数 total_atoms | 1800 |
| 残基数 n_residues | 78 |
| 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 | 122.5 Å |
| Rg (实空间) rg_real | 34.56 Å |
| Rg 误差 (实空间) rg_real_error | 1.98 Å |
| I(0) (实空间) i0_real | 3.9300e+07 |
| I(0) 误差 (实空间) i0_real_error | 7.9180e+05 |
| Rg (倒空间) rg_reciprocal | 34.08 Å |
| I(0) (倒空间) i0_reciprocal | 39280000.0000 |
| 解质量估计 total_estimate | 0.5573 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 18.2 Å |
| 偏度 Skewness skewness | 0.637 |
| 峰度 Kurtosis kurtosis | -0.476 |
| 角度范围 angular_range | — – 0.2350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 499700.0000 |
| 实空间数据点数 n_real_points | 48 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.077; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.009; Smooth: 0.000 |