2iiu
;Crystal structure of a putative PhoU-like phosphate regulatory protein (NP_719307.1) from Shewanella oneidensis MR-1 at 2.28 A resolution. ;
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 | 2iiu |
| 沉积日期 deposition_date | 2006-09-28 |
| 结构标题 title | ;Crystal structure of a putative PhoU-like phosphate regulatory protein (NP_719307.1) from Shewanella oneidensis MR-1 at 2.28 A resolution. ; |
| 关键词 keywords | ;NP_719307.1, conserved hypothetical protein, Structural Genomics, PSI-2, Protein Structure Initiative, Joint Center for Structural Genomics, JCSG, Structural Genomics-Unknown function COMPLEX ;; Structural Genomics/Unknown function |
| 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 | 33.51 Å |
| 回转半径 Rg (电子) rg_electron | 33.92 Å |
| 零角强度 I(0) i0 | 72250900.00 |
| 分子量 molecular_weight | 69052.0 kDa |
| 排除体积 excluded_volume | 86950 ų |
| 包络体积 envelope_volume | 114580 ų |
| 水化壳体积 shell_volume | 31076 ų |
| 包络直径 envelope_diameter | 124.0 Å |
| 壳层 Rg shell_rg | 36.57 Å |
| 包络 Rg envelope_rg | 33.38 Å |
| 形状 Rg shape_rg | 33.99 Å |
| 总 Rg total_rg | 33.91 Å |
| 总原子数 total_atoms | 4815 |
| 残基数 n_residues | 616 |
| 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 | 118.1 Å |
| Rg (实空间) rg_real | 33.79 Å |
| Rg 误差 (实空间) rg_real_error | 1.45 Å |
| I(0) (实空间) i0_real | 7.2250e+07 |
| I(0) 误差 (实空间) i0_real_error | 1.4150e+06 |
| Rg (倒空间) rg_reciprocal | 33.62 Å |
| I(0) (倒空间) i0_reciprocal | 72240000.0000 |
| 解质量估计 total_estimate | 0.8211 |
| 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 | 37.7 Å |
| 偏度 Skewness skewness | 0.577 |
| 峰度 Kurtosis kurtosis | -0.123 |
| 角度范围 angular_range | — – 0.2350 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 5697000.0000 |
| 实空间数据点数 n_real_points | 48 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.741; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.707; Smooth: 0.740 |
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) 3 domains
CATH v4.4 (3 domains)
| 结构域编号 domain_id | 2iiuA00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 2iiuB00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |
| 结构域编号 domain_id | 2iiuC00 |
| 类 Class class | 1 — Mainly Alpha |
| 架构 Architecture architecture | 20 — Up-down Bundle |
| 拓扑 Topology topology | 58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 220 — Phosphate transport system protein phou homolog 2; domain 2 |