1my6
;The 1.6 A Structure of Fe-Superoxide Dismutase from the thermophilic cyanobacterium Thermosynechococcus elongatus : Correlation of EPR and Structural Characteristics ;
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 | 1my6 |
| 沉积日期 deposition_date | 2002-10-03 |
| 结构标题 title | ;The 1.6 A Structure of Fe-Superoxide Dismutase from the thermophilic cyanobacterium Thermosynechococcus elongatus : Correlation of EPR and Structural Characteristics ; |
| 关键词 keywords | ;Iron Speroxide Dismutase, thermophile, reactive oxygen species, cyanobacteria, thermosynechococcus, Thermosynechococcus elongatus, Superoxide Dismutase, SOD, FeSOD, Iron(III) Superoxide Dismutase, OXIDOREDUCTASE ;; OXIDOREDUCTASE |
| 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 | 22.72 Å |
| 回转半径 Rg (电子) rg_electron | 21.84 Å |
| 零角强度 I(0) i0 | 31800300.00 |
| 分子量 molecular_weight | 44093.0 kDa |
| 排除体积 excluded_volume | 55301 ų |
| 包络体积 envelope_volume | 62787 ų |
| 水化壳体积 shell_volume | 23875 ų |
| 包络直径 envelope_diameter | 73.1 Å |
| 壳层 Rg shell_rg | 28.80 Å |
| 包络 Rg envelope_rg | 22.02 Å |
| 形状 Rg shape_rg | 21.80 Å |
| 总 Rg total_rg | 22.83 Å |
| 总原子数 total_atoms | 3130 |
| 残基数 n_residues | 396 |
| 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 | 73.8 Å |
| Rg (实空间) rg_real | 22.66 Å |
| Rg 误差 (实空间) rg_real_error | 0.38 Å |
| I(0) (实空间) i0_real | 3.1800e+07 |
| I(0) 误差 (实空间) i0_real_error | 4.2820e+05 |
| Rg (倒空间) rg_reciprocal | 22.68 Å |
| I(0) (倒空间) i0_reciprocal | 31800000.0000 |
| 解质量估计 total_estimate | 0.7198 |
| 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 | 71.6 Å |
| 偏度 Skewness skewness | 0.270 |
| 峰度 Kurtosis kurtosis | -0.370 |
| 角度范围 angular_range | — – 0.3500 Å−1 |
| 当前正则化参数 α current_alpha | 0.0001 |
| 最高正则化参数 α highest_alpha | 12650000.0000 |
| 实空间数据点数 n_real_points | 67 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 1.000; Smooth: 0.992 |
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 | d1my6a1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.2 — Long alpha-hairpin |
| 超家族 Superfamily superfamily | a.2.11 — Fe,Mn superoxide dismutase (SOD), N-terminal domain |
| 家族 Family family | a.2.11.1 — Fe,Mn superoxide dismutase (SOD), N-terminal domain |
| 结构域编号 domain_id | d1my6a2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.44 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |
| 超家族 Superfamily superfamily | d.44.1 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |
| 家族 Family family | d.44.1.1 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |
| 结构域编号 domain_id | d1my6b1 |
| 类 Class class | a — All alpha proteins |
| 折叠类型 Fold fold | a.2 — Long alpha-hairpin |
| 超家族 Superfamily superfamily | a.2.11 — Fe,Mn superoxide dismutase (SOD), N-terminal domain |
| 家族 Family family | a.2.11.1 — Fe,Mn superoxide dismutase (SOD), N-terminal domain |
| 结构域编号 domain_id | d1my6b2 |
| 类 Class class | d — Alpha and beta proteins (a+b) |
| 折叠类型 Fold fold | d.44 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |
| 超家族 Superfamily superfamily | d.44.1 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |
| 家族 Family family | d.44.1.1 — Fe,Mn superoxide dismutase (SOD), C-terminal domain |