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29om

Crystal structure of the staphylococcal efflux pump QacA in the outward open state

Method: X-RAY DIFFRACTION Dmax: 142.4 Å Quality: REASONABLE

SAXS 散射曲线 SAXS Profile

SAXS profile for 29om

P(r) 距离分布 P(r) Distribution

P(r) distribution for 29om
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id29om
沉积日期 deposition_date2026-03-26
最后修订 last_revision2026-04-22
结构标题 titleCrystal structure of the staphylococcal efflux pump QacA in the outward open state
关键词 keywords;Multidrug efflux pump, Major Facilitator Superfamily, MFS, DHA2 family, Antimicrobial resistance, Drug resistance, Proton-coupled transport, Drug-proton antiport, Membrane protein, 14-transmembrane helix, Secondary active transporter, Cationic substrate efflux ;; 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_guinier41.31 Å
回转半径 Rg (电子) rg_electron41.89 Å
零角强度 I(0) i0154162000.00
分子量 molecular_weight116520.0 kDa
排除体积 excluded_volume152360 ų
包络体积 envelope_volume191070 ų
水化壳体积 shell_volume40978 ų
包络直径 envelope_diameter152.1 Å
壳层 Rg shell_rg43.03 Å
包络 Rg envelope_rg41.35 Å
形状 Rg shape_rg41.91 Å
总 Rg total_rg41.92 Å
总原子数 total_atoms8180
残基数 n_residues1019
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 dmax142.4 Å
Rg (实空间) rg_real41.83 Å
Rg 误差 (实空间) rg_real_error1.38 Å
I(0) (实空间) i0_real1.5420e+08
I(0) 误差 (实空间) i0_real_error2.6300e+06
Rg (倒空间) rg_reciprocal41.32 Å
I(0) (倒空间) i0_reciprocal154100000.0000
解质量估计 total_estimate0.7354
解质量评级 solution_quality REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary33.7 Å
偏度 Skewness skewness0.573
峰度 Kurtosis kurtosis-0.514
角度范围 angular_range— – 0.1900 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha23790000.0000
实空间数据点数 n_real_points39
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.451; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.593; Smooth: 0.610
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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 (8)

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7. 引用文献 (1)

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8. 文件与曲线 (10)