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9hzh

;Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment F02 and CX-4945 (Silmitasertib) ;

Method: X-RAY DIFFRACTION Dmax: 99.5 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 9hzh

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id9hzh
沉积日期 deposition_date2025-01-13
最后修订 last_revision2026-01-14
结构标题 title;Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment F02 and CX-4945 (Silmitasertib) ;
关键词 keywordsProtein kinase CK2, kinase, fragment-based screening, ligand, casein kinase II, TRANSFERASE; TRANSFERASE
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_guinier31.12 Å
回转半径 Rg (电子) rg_electron30.42 Å
零角强度 I(0) i0105324000.00
分子量 molecular_weight80833.0 kDa
排除体积 excluded_volume100910 ų
包络体积 envelope_volume127340 ų
水化壳体积 shell_volume35664 ų
包络直径 envelope_diameter108.3 Å
壳层 Rg shell_rg36.74 Å
包络 Rg envelope_rg30.20 Å
形状 Rg shape_rg30.44 Å
总 Rg total_rg30.93 Å
总原子数 total_atoms5702
残基数 n_residues662
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 dmax99.5 Å
Rg (实空间) rg_real31.20 Å
Rg 误差 (实空间) rg_real_error0.72 Å
I(0) (实空间) i0_real1.0530e+08
I(0) 误差 (实空间) i0_real_error1.4490e+06
Rg (倒空间) rg_reciprocal31.17 Å
I(0) (倒空间) i0_reciprocal105300000.0000
解质量估计 total_estimate0.8865
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary33.2 Å
偏度 Skewness skewness0.377
峰度 Kurtosis kurtosis-0.527
角度范围 angular_range— – 0.2550 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha33750000.0000
实空间数据点数 n_real_points52
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.951; Smooth: 0.870
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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 (1)

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8. 文件与曲线 (10)