1xez
Crystal Structure Of The Vibrio Cholerae Cytolysin (HlyA) Pro-Toxin With Octylglucoside Bound
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 | 1xez |
| 沉积日期 deposition_date | 2004-09-13 |
| 结构标题 title | Crystal Structure Of The Vibrio Cholerae Cytolysin (HlyA) Pro-Toxin With Octylglucoside Bound |
| 关键词 keywords | Pore-forming toxin, hemolysin, cytolysin, pro-toxin, water-soluble monomer, beta-prism, beta-trefoil, toxin; TOXIN |
| 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 | 32.00 Å |
| 回转半径 Rg (电子) rg_electron | 31.66 Å |
| 零角强度 I(0) i0 | 87959700.00 |
| 分子量 molecular_weight | 71903.0 kDa |
| 排除体积 excluded_volume | 88836 ų |
| 包络体积 envelope_volume | 111260 ų |
| 水化壳体积 shell_volume | 31963 ų |
| 包络直径 envelope_diameter | 129.7 Å |
| 壳层 Rg shell_rg | 35.43 Å |
| 包络 Rg envelope_rg | 31.83 Å |
| 形状 Rg shape_rg | 31.70 Å |
| 总 Rg total_rg | 31.84 Å |
| 总原子数 total_atoms | 5085 |
| 残基数 n_residues | 663 |
| 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 | 121.7 Å |
| Rg (实空间) rg_real | 32.27 Å |
| Rg 误差 (实空间) rg_real_error | 1.71 Å |
| I(0) (实空间) i0_real | 8.7960e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.6100e+06 |
| Rg (倒空间) rg_reciprocal | 32.16 Å |
| I(0) (倒空间) i0_reciprocal | 87950000.0000 |
| 解质量估计 total_estimate | 0.8107 |
| 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 | 32.3 Å |
| 偏度 Skewness skewness | 0.546 |
| 峰度 Kurtosis kurtosis | -0.014 |
| 角度范围 angular_range | — – 0.2450 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 19410000.0000 |
| 实空间数据点数 n_real_points | 50 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.624; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.680; Smooth: 0.984 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (3)
6. 折叠分类 (SCOP + CATH) 4 domains
CATH v4.4 (4 domains)
| 结构域编号 domain_id | 1xezA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 110 — Translation Initiation Factor IF3 |
| 同源超家族 H-superfamily homologous superfamily | 130 — Hemolytic toxin, N-terminal domain |
| 结构域编号 domain_id | 1xezA02 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 70 — Distorted Sandwich |
| 拓扑 Topology topology | 240 — Leukocidin-like |
| 同源超家族 H-superfamily homologous superfamily | 20 — Leukocidin/Hemolysin toxin, cytolysin domain |
| 结构域编号 domain_id | 1xezA03 |
| 类 Class class | 6 — Special |
| 架构 Architecture architecture | 20 — Other non-globular |
| 拓扑 Topology topology | 40 — Porin MspA ribbon fold |
| 同源超家族 H-superfamily homologous superfamily | 20 — Leukocidin/Hemolysin toxin, pre-stem domain |
| 结构域编号 domain_id | 1xezA04 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 100 — Aligned Prism |
| 拓扑 Topology topology | 10 — Vitelline Membrane Outer Layer Protein I, subunit A |
| 同源超家族 H-superfamily homologous superfamily | 30 — Jacalin-like lectin domain |