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9ros

;Atomic resolution (1.15 A) XFEL structure of as-isolated copper nitrite reductase from Bradyrhizobium sp. at low pH (5.5) determined by serial femtosecond rotation crystallography (SF-ROX) at 100 K ;

Method: X-RAY DIFFRACTION Dmax: 87.1 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 9ros

P(r) 距离分布 P(r) Distribution

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

条目编号 entry_id9ros
沉积日期 deposition_date2025-06-22
结构标题 title;Atomic resolution (1.15 A) XFEL structure of as-isolated copper nitrite reductase from Bradyrhizobium sp. at low pH (5.5) determined by serial femtosecond rotation crystallography (SF-ROX) at 100 K ;
关键词 keywordsCopper-containing nitrite reductase, AcNiR, SF-ROX, as-isolated, sub-atomic resolution, OXIDOREDUCTASE; OXIDOREDUCTASE
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_guinier23.57 Å
回转半径 Rg (电子) rg_electron22.59 Å
零角强度 I(0) i028688000.00
分子量 molecular_weight39406.0 kDa
排除体积 excluded_volume48568 ų
包络体积 envelope_volume62633 ų
水化壳体积 shell_volume23490 ų
包络直径 envelope_diameter91.0 Å
壳层 Rg shell_rg28.96 Å
包络 Rg envelope_rg24.15 Å
形状 Rg shape_rg22.54 Å
总 Rg total_rg23.52 Å
总原子数 total_atoms5398
残基数 n_residues345
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 dmax87.1 Å
Rg (实空间) rg_real23.69 Å
Rg 误差 (实空间) rg_real_error0.84 Å
I(0) (实空间) i0_real2.8690e+07
I(0) 误差 (实空间) i0_real_error3.8840e+05
Rg (倒空间) rg_reciprocal23.66 Å
I(0) (倒空间) i0_reciprocal28690000.0000
解质量估计 total_estimate0.8193
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks2
主峰位置 r_peak_primary25.9 Å
偏度 Skewness skewness0.560
峰度 Kurtosis kurtosis0.151
角度范围 angular_range— – 0.3350 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha6585000.0000
实空间数据点数 n_real_points65
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.624; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.801; Smooth: 0.974
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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 (7)

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7. 引用文献 (1)

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8. 文件与曲线 (10)