8u1t
SARS-CoV-2 Envelope Protein Transmembrane Domain: Dimeric Structure Determined by Solid-State NMR
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 | 8u1t |
| 沉积日期 deposition_date | 2023-09-02 |
| 结构标题 title | SARS-CoV-2 Envelope Protein Transmembrane Domain: Dimeric Structure Determined by Solid-State NMR |
| 关键词 keywords | SARS-CoV-2, Envelope protein, E protein, Transmembrane domain, Membrane protein, PISEMA, PISA wheel, DARR, VIRAL PROTEIN; VIRAL PROTEIN |
| 实验方法 method | SOLID-STATE NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 11.61 Å |
| 回转半径 Rg (电子) rg_electron | 12.68 Å |
| 零角强度 I(0) i0 | 39352800.00 |
| 分子量 molecular_weight | 78389.0 kDa |
| 排除体积 excluded_volume | 108950 ų |
| 包络体积 envelope_volume | 11358 ų |
| 水化壳体积 shell_volume | 7979 ų |
| 包络直径 envelope_diameter | 47.5 Å |
| 壳层 Rg shell_rg | 17.70 Å |
| 包络 Rg envelope_rg | 13.97 Å |
| 形状 Rg shape_rg | 12.62 Å |
| 总 Rg total_rg | 13.22 Å |
| 总原子数 total_atoms | 12096 |
| 残基数 n_residues | 728 |
| 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 | 23.7 Å |
| Rg (实空间) rg_real | 8.95 Å |
| Rg 误差 (实空间) rg_real_error | 0.03 Å |
| I(0) (实空间) i0_real | 3.2620e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.9940e+05 |
| Rg (倒空间) rg_reciprocal | 11.85 Å |
| I(0) (倒空间) i0_reciprocal | 39350000.0000 |
| 解质量估计 total_estimate | 0.5667 |
| 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 | 12.9 Å |
| 偏度 Skewness skewness | 0.037 |
| 峰度 Kurtosis kurtosis | -0.949 |
| 角度范围 angular_range | — – 0.5000 Å−1 |
| 当前正则化参数 α current_alpha | 10.4800 |
| 最高正则化参数 α highest_alpha | 2523.0000 |
| 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: 0.002; Oscil: 1.000; Stabil: 0.913; Sysdev: 0.000; Positv: 1.000; Valcen: 0.628; Smooth: 0.000 |