2jjl
Structure of avian reovirus sigmaC117-326, P321 crystal form
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 | 2jjl |
| 沉积日期 deposition_date | 2008-04-14 |
| 结构标题 title | Structure of avian reovirus sigmaC117-326, P321 crystal form |
| 关键词 keywords | ALPHA-HELICAL COILED COIL, RECEPTOR-BINDING, TRIPLE BETA-SPIRAL, VIRAL PROTEIN, VIRION, COILED COIL, BETA-BARREL; VIRAL PROTEIN |
| 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 | 34.47 Å |
| 回转半径 Rg (电子) rg_electron | 35.64 Å |
| 零角强度 I(0) i0 | 9785180.00 |
| 分子量 molecular_weight | 22454.0 kDa |
| 排除体积 excluded_volume | 27391 ų |
| 包络体积 envelope_volume | 40491 ų |
| 水化壳体积 shell_volume | 12669 ų |
| 包络直径 envelope_diameter | 137.2 Å |
| 壳层 Rg shell_rg | 30.32 Å |
| 包络 Rg envelope_rg | 39.90 Å |
| 形状 Rg shape_rg | 35.28 Å |
| 总 Rg total_rg | 36.18 Å |
| 总原子数 total_atoms | 1560 |
| 残基数 n_residues | 207 |
| 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 | 133.2 Å |
| Rg (实空间) rg_real | 35.54 Å |
| Rg 误差 (实空间) rg_real_error | 0.96 Å |
| I(0) (实空间) i0_real | 9.7710e+06 |
| I(0) 误差 (实空间) i0_real_error | 1.5560e+05 |
| Rg (倒空间) rg_reciprocal | 35.11 Å |
| I(0) (倒空间) i0_reciprocal | 9775000.0000 |
| 解质量估计 total_estimate | 0.4001 |
| 解质量评级 solution_quality | SUSPICIOUS a SUSPICIOUS solution |
| P(r) 峰数 n_peaks | 1 |
| 主峰位置 r_peak_primary | 20.3 Å |
| 偏度 Skewness skewness | 0.975 |
| 峰度 Kurtosis kurtosis | 0.069 |
| 角度范围 angular_range | — – 0.2300 Å−1 |
| 当前正则化参数 α current_alpha | 1.1100 |
| 最高正则化参数 α highest_alpha | 572300.0000 |
| 实空间数据点数 n_real_points | 47 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.008; Stabil: 0.907; Sysdev: 0.000; Positv: 1.000; Valcen: 0.000; Smooth: 0.456 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (5)
6. 折叠分类 (SCOP + CATH) 3 domains
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 2jjlA01 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces |
| 同源超家族 H-superfamily homologous superfamily | 170 — |
| 结构域编号 domain_id | 2jjlA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 10 — Ribbon |
| 拓扑 Topology topology | 25 — Laminin |
| 同源超家族 H-superfamily homologous superfamily | 20 — reovirus attachment protein sigma1; domain 1 |
| 结构域编号 domain_id | 2jjlA03 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 60 — Sandwich |
| 拓扑 Topology topology | 90 — Adenovirus Type 5 Fiber Protein (Receptor Binding Domain) |
| 同源超家族 H-superfamily homologous superfamily | 40 — |