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9g8k

Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate

Method: X-RAY DIFFRACTION Dmax: 104.0 Å Quality: EXCELLENT

SAXS 散射曲线 SAXS Profile

SAXS profile for 9g8k

P(r) 距离分布 P(r) Distribution

P(r) distribution for 9g8k
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id9g8k
沉积日期 deposition_date2024-07-23
结构标题 titleStructure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
关键词 keywordsComplex, Inhibitor, enzyme, transport, MEMBRANE PROTEIN; MEMBRANE PROTEIN
实验方法 methodX-RAY DIFFRACTION
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2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier33.03 Å
回转半径 Rg (电子) rg_electron32.28 Å
零角强度 I(0) i0277929000.00
分子量 molecular_weight145010.0 kDa
排除体积 excluded_volume185700 ų
包络体积 envelope_volume217160 ų
水化壳体积 shell_volume53168 ų
包络直径 envelope_diameter106.3 Å
壳层 Rg shell_rg41.42 Å
包络 Rg envelope_rg32.74 Å
形状 Rg shape_rg32.30 Å
总 Rg total_rg32.91 Å
总原子数 total_atoms10314
残基数 n_residues1398
球谐函数阶数 n_harmonics20
q 范围 q_range— – 0.5000 Å−1
数据点数 n_points101
壳层类型 shell_typedirectional
溶剂电子密度 solvent_density0.3340 e/ų
壳层衬度 contrast_shell0.0300 e/ų
CRYSOL 版本 crysol_version4.1.3
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3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax104.0 Å
Rg (实空间) rg_real32.89 Å
Rg 误差 (实空间) rg_real_error0.73 Å
I(0) (实空间) i0_real2.7790e+08
I(0) 误差 (实空间) i0_real_error4.2690e+06
Rg (倒空间) rg_reciprocal32.96 Å
I(0) (倒空间) i0_reciprocal277900000.0000
解质量估计 total_estimate0.9031
解质量评级 solution_quality EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary36.8 Å
偏度 Skewness skewness0.218
峰度 Kurtosis kurtosis-0.547
角度范围 angular_range— – 0.2400 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha149000000.0000
实空间数据点数 n_real_points49
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.945
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4. 晶体学与实验 4. Crystallography & Experiment

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5. 实体与聚合体信息 (6)

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7. 引用文献 (4)

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8. 文件与曲线 (10)