SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
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条目编号 entry_id 2jp8
沉积日期 deposition_date 2007-04-27
结构标题 title Angiotensin 1-7
关键词 keywords bend, SIGNALING PROTEIN; SIGNALING PROTEIN
实验方法 method SOLUTION NMR
回转半径 Rg (Guinier) rg_guinier 6.17 Å
回转半径 Rg (电子) rg_electron 5.97 Å
零角强度 I(0) i0 1308480.00
分子量 molecular_weight 8990.0 kDa
排除体积 excluded_volume 11245 ų
包络体积 envelope_volume 1758 ų
水化壳体积 shell_volume 2777 ų
包络直径 envelope_diameter 22.7 Å
壳层 Rg shell_rg 10.46 Å
包络 Rg envelope_rg 7.06 Å
形状 Rg shape_rg 5.96 Å
总 Rg total_rg 6.55 Å
总原子数 total_atoms 1200
残基数 n_residues 70
球谐函数阶数 n_harmonics 20
q 范围 q_range — – 0.5000 Å−1
数据点数 n_points 101
壳层类型 shell_type directional
溶剂电子密度 solvent_density 0.3340 e/ų
壳层衬度 contrast_shell 0.0300 e/ų
CRYSOL 版本 crysol_version 4.1.3
最大尺寸 Dmax dmax 17.6 Å
Rg (实空间) rg_real 6.01 Å
Rg 误差 (实空间) rg_real_error 0.02 Å
I(0) (实空间) i0_real 1.2680e+06
I(0) 误差 (实空间) i0_real_error 6.9390e+03
Rg (倒空间) rg_reciprocal 6.30 Å
I(0) (倒空间) i0_reciprocal 1308000.0000
解质量估计 total_estimate 0.6376
解质量评级 solution_quality
REASONABLE
a REASONABLE solution
P(r) 峰数 n_peaks 1
主峰位置 r_peak_primary 5.1 Å
偏度 Skewness skewness 0.342
峰度 Kurtosis kurtosis -0.773
角度范围 angular_range — – 0.5000 Å−1
当前正则化参数 α current_alpha 9.0970
最高正则化参数 α highest_alpha 319.1000
实空间数据点数 n_real_points 80
GNOM 版本 gnom_version 4.1.3
质量判据 quality_criteria
AN1: 0.000;
Oscil: 0.973;
Stabil: 0.962;
Sysdev: 0.000;
Positv: 1.000;
Valcen: 0.482;
Smooth: 0.000
Entity 1
polymer
描述 description Angiotensin-(1-7)
分子量 formula_weight 901.0 kDa
来源方法 src_method syn
拷贝数 entity_count 1
聚合体 Polymer
聚合体类型 type polypeptide(L)
链编号 strand_id P
原子数 atom_count 1200
DRVYIHP
;Study of angiotensin-(1-7) vasoactive peptide and its beta-cyclodextrin inclusion complexes: complete sequence-specific NMR assignments and structural studies
;
Peptides (2007)
Files (7)
pr_distribution /app/data/pr_computation/jp/2jp8/pr_distribution.json
pr_output /app/data/pr_computation/jp/2jp8/2jp8.pr.out
pr_plot /app/data/visualization/pr_computation/jp/2jp8/2jp8_pr_distribution.png
saxs_curve_dat /app/data/saxs_computation/jp/2jp8/2jp8.dat
saxs_fit /app/data/saxs_computation/jp/2jp8/2jp8.fit
saxs_log /app/data/saxs_computation/jp/2jp8/2jp8.log
saxs_plot /app/data/visualization/saxs_computation/jp/2jp8/2jp8_saxs_profile.png
Curves (3)
fit
/app/data/saxs_computation/jp/2jp8/2jp8.fit
pddf
/app/data/pr_computation/jp/2jp8/2jp8.pr.out
profile
/app/data/saxs_computation/jp/2jp8/2jp8.dat