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9c8c

Structure of proline utilization A with the FAD covalently-modified by propanal resulting from inactivation with N-allylglycine

Method: X-RAY DIFFRACTION Dmax: 122.9 Å Quality: GOOD

SAXS 散射曲线 SAXS Profile

SAXS profile for 9c8c

P(r) 距离分布 P(r) Distribution

P(r) distribution for 9c8c
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1. 结构基本信息 1. Structure Basics

条目编号 entry_id9c8c
沉积日期 deposition_date2024-06-12
结构标题 titleStructure of proline utilization A with the FAD covalently-modified by propanal resulting from inactivation with N-allylglycine
关键词 keywords;FLAVOENZYME, ROSSMANN FOLD, PROLINE DEHYDROGNEASE, ALDEHYDE DEHYDROGENASE, PROLINE CATABOLISM, SUBSTRATE CHANNELING, BIFUNCTIONAL ENZYME, 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_guinier40.96 Å
回转半径 Rg (电子) rg_electron40.30 Å
零角强度 I(0) i0977883000.00
分子量 molecular_weight254870.0 kDa
排除体积 excluded_volume318250 ų
包络体积 envelope_volume401720 ų
水化壳体积 shell_volume79609 ų
包络直径 envelope_diameter124.3 Å
壳层 Rg shell_rg48.93 Å
包络 Rg envelope_rg39.14 Å
形状 Rg shape_rg40.30 Å
总 Rg total_rg40.70 Å
总原子数 total_atoms17927
残基数 n_residues2416
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 dmax122.9 Å
Rg (实空间) rg_real40.72 Å
Rg 误差 (实空间) rg_real_error0.63 Å
I(0) (实空间) i0_real9.7790e+08
I(0) 误差 (实空间) i0_real_error1.4500e+07
Rg (倒空间) rg_reciprocal40.96 Å
I(0) (倒空间) i0_reciprocal978100000.0000
解质量估计 total_estimate0.8978
解质量评级 solution_quality GOOD a GOOD solution
P(r) 峰数 n_peaks1
主峰位置 r_peak_primary56.7 Å
偏度 Skewness skewness0.041
峰度 Kurtosis kurtosis-0.615
角度范围 angular_range— – 0.1950 Å−1
当前正则化参数 α current_alpha0.0000
最高正则化参数 α highest_alpha281100000.0000
实空间数据点数 n_real_points40
GNOM 版本 gnom_version4.1.3
质量判据 quality_criteria AN1: 0.000; Oscil: 0.954; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.831
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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 (10)

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7. 引用文献 (1)

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8. 文件与曲线 (10)