9dnk
RamR variant R2.1 complexed with 1R-1-phenyl-1,2,3,4-tetrahydroisoquinoline
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 | 9dnk |
| 沉积日期 deposition_date | 2024-09-17 |
| 最后修订 last_revision | 2026-04-08 |
| 结构标题 title | RamR variant R2.1 complexed with 1R-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
| 关键词 keywords | Directed evolution, Transcription factor, Stereoselectivity, TRANSCRIPTION; TRANSCRIPTION |
| 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 | 18.93 Å |
| 回转半径 Rg (电子) rg_electron | 18.27 Å |
| 零角强度 I(0) i0 | 15353900.00 |
| 分子量 molecular_weight | 19686.0 kDa |
| 排除体积 excluded_volume | 18988 ų |
| 包络体积 envelope_volume | 31767 ų |
| 水化壳体积 shell_volume | 15415 ų |
| 包络直径 envelope_diameter | 66.6 Å |
| 壳层 Rg shell_rg | 23.47 Å |
| 包络 Rg envelope_rg | 18.48 Å |
| 形状 Rg shape_rg | 18.28 Å |
| 总 Rg total_rg | 18.89 Å |
| 总原子数 total_atoms | 1489 |
| 残基数 n_residues | 186 |
| 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 | 65.2 Å |
| Rg (实空间) rg_real | 18.97 Å |
| Rg 误差 (实空间) rg_real_error | 0.51 Å |
| I(0) (实空间) i0_real | 1.5350e+07 |
| I(0) 误差 (实空间) i0_real_error | 2.0820e+05 |
| Rg (倒空间) rg_reciprocal | 18.96 Å |
| I(0) (倒空间) i0_reciprocal | 15350000.0000 |
| 解质量估计 total_estimate | 0.7886 |
| 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 | 20.8 Å |
| 偏度 Skewness skewness | 0.422 |
| 峰度 Kurtosis kurtosis | -0.261 |
| 角度范围 angular_range | — – 0.4200 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 2950000.0000 |
| 实空间数据点数 n_real_points | 73 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.777; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.916; Smooth: 0.000 |