2hne
Crystal structure of l-fuconate dehydratase from xanthomonas campestris pv. campestris str. ATCC 33913
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 | 2hne |
| 沉积日期 deposition_date | 2006-07-12 |
| 结构标题 title | Crystal structure of l-fuconate dehydratase from xanthomonas campestris pv. campestris str. ATCC 33913 |
| 关键词 keywords | ;STRUCTURAL GENOMICS, L-FUCONATE DEHYDRATASE, ENOLASE SUPERFAMILY, NYSGXRC TARGET T2188, PSI, PROTEIN STRUCTURE INITIATIVE, New York SGX Research Center for Structural Genomics, UNKNOWN FUNCTION ;; 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 | 38.99 Å |
| 回转半径 Rg (电子) rg_electron | 38.58 Å |
| 零角强度 I(0) i0 | 533128000.00 |
| 分子量 molecular_weight | 188790.0 kDa |
| 排除体积 excluded_volume | 236240 ų |
| 包络体积 envelope_volume | 286450 ų |
| 水化壳体积 shell_volume | 61252 ų |
| 包络直径 envelope_diameter | 134.2 Å |
| 壳层 Rg shell_rg | 44.99 Å |
| 包络 Rg envelope_rg | 37.99 Å |
| 形状 Rg shape_rg | 38.56 Å |
| 总 Rg total_rg | 38.95 Å |
| 总原子数 total_atoms | 13324 |
| 残基数 n_residues | 1725 |
| 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 | 127.7 Å |
| Rg (实空间) rg_real | 38.98 Å |
| Rg 误差 (实空间) rg_real_error | 1.09 Å |
| I(0) (实空间) i0_real | 5.3310e+08 |
| I(0) 误差 (实空间) i0_real_error | 9.7560e+06 |
| Rg (倒空间) rg_reciprocal | 38.99 Å |
| I(0) (倒空间) i0_reciprocal | 533100000.0000 |
| 解质量估计 total_estimate | 0.6898 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 43.6 Å |
| 偏度 Skewness skewness | 0.327 |
| 峰度 Kurtosis kurtosis | -0.435 |
| 角度范围 angular_range | — – 0.2050 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 147100000.0000 |
| 实空间数据点数 n_real_points | 42 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 0.132; Positv: 1.000; Valcen: 0.999; Smooth: 0.885 |
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) 8 domains
CATH v4.4 (8 domains)
| 结构域编号 domain_id | 2hneA01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Enolase-like, N-terminal domain |
| 结构域编号 domain_id | 2hneA02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 120 — Enolase-like C-terminal domain |
| 结构域编号 domain_id | 2hneB01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Enolase-like, N-terminal domain |
| 结构域编号 domain_id | 2hneB02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 120 — Enolase-like C-terminal domain |
| 结构域编号 domain_id | 2hneC01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Enolase-like, N-terminal domain |
| 结构域编号 domain_id | 2hneC02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 120 — Enolase-like C-terminal domain |
| 结构域编号 domain_id | 2hneD01 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 30 — 2-Layer Sandwich |
| 拓扑 Topology topology | 390 — Enolase-like; domain 1 |
| 同源超家族 H-superfamily homologous superfamily | 10 — Enolase-like, N-terminal domain |
| 结构域编号 domain_id | 2hneD02 |
| 类 Class class | 3 — Alpha Beta |
| 架构 Architecture architecture | 20 — Alpha-Beta Barrel |
| 拓扑 Topology topology | 20 — TIM Barrel |
| 同源超家族 H-superfamily homologous superfamily | 120 — Enolase-like C-terminal domain |