1h21
A novel iron centre in the split-Soret cytochrome c from Desulfovibrio desulfuricans ATCC 27774
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 | 1h21 |
| 沉积日期 deposition_date | 2002-07-30 |
| 结构标题 title | A novel iron centre in the split-Soret cytochrome c from Desulfovibrio desulfuricans ATCC 27774 |
| 关键词 keywords | ;CYTOCHROME, DIMERIC DI-HEME CYTOCHROME, STACKED HEME ARRANGEMENT, NOVEL FOLD, NOVEL IRON-SULFUR CENTRE, ELECTRON TRANSPORT, SULFATE RESPIRATION ;; CYTOCHROME |
| 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 | 35.73 Å |
| 回转半径 Rg (电子) rg_electron | 35.34 Å |
| 零角强度 I(0) i0 | 185776000.00 |
| 分子量 molecular_weight | 110030.0 kDa |
| 排除体积 excluded_volume | 137040 ų |
| 包络体积 envelope_volume | 162140 ų |
| 水化壳体积 shell_volume | 38848 ų |
| 包络直径 envelope_diameter | 120.0 Å |
| 壳层 Rg shell_rg | 40.75 Å |
| 包络 Rg envelope_rg | 35.18 Å |
| 形状 Rg shape_rg | 35.31 Å |
| 总 Rg total_rg | 35.79 Å |
| 总原子数 total_atoms | 7728 |
| 残基数 n_residues | 960 |
| 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 | 112.5 Å |
| Rg (实空间) rg_real | 35.95 Å |
| Rg 误差 (实空间) rg_real_error | 0.91 Å |
| I(0) (实空间) i0_real | 1.8580e+08 |
| I(0) 误差 (实空间) i0_real_error | 2.9480e+06 |
| Rg (倒空间) rg_reciprocal | 35.82 Å |
| I(0) (倒空间) i0_reciprocal | 185800000.0000 |
| 解质量估计 total_estimate | 0.8274 |
| 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 | 33.2 Å |
| 偏度 Skewness skewness | 0.411 |
| 峰度 Kurtosis kurtosis | -0.682 |
| 角度范围 angular_range | — – 0.2200 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 28800000.0000 |
| 实空间数据点数 n_real_points | 45 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.788; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.871; Smooth: 0.518 |
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
SCOP 2.08 (4 domains)
| 结构域编号 domain_id | d1h21a_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.138 — Multiheme cytochromes |
| 超家族 Superfamily superfamily | a.138.1 — Multiheme cytochromes |
| 家族 Family family | a.138.1.3 — Di-heme elbow motif |
| 结构域编号 domain_id | d1h21b_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.138 — Multiheme cytochromes |
| 超家族 Superfamily superfamily | a.138.1 — Multiheme cytochromes |
| 家族 Family family | a.138.1.3 — Di-heme elbow motif |
| 结构域编号 domain_id | d1h21c_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.138 — Multiheme cytochromes |
| 超家族 Superfamily superfamily | a.138.1 — Multiheme cytochromes |
| 家族 Family family | a.138.1.3 — Di-heme elbow motif |
| 结构域编号 domain_id | d1h21d_ |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.138 — Multiheme cytochromes |
| 超家族 Superfamily superfamily | a.138.1 — Multiheme cytochromes |
| 家族 Family family | a.138.1.3 — Di-heme elbow motif |