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 1y8d 沉积日期 deposition_date 2004-12-11 结构标题 title ;Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad
; 关键词 keywords ;DIMERIC PARALLEL-STRANDED QUADRUPLEX; DNA APTAMER;HIV-1 INTEGRASE INHIBITOR DESIGN; 3+1 G-TETRAD; SINGLE NUCLEOTIDE CHAIN REVERSAL LOOP; GAG TRIAD; (A)GGGG PENTAD, DNA
;; DNA 实验方法 method SOLUTION NMR
回转半径 Rg (Guinier) rg_guinier 12.03 Å 回转半径 Rg (电子) rg_electron 12.02 Å 零角强度 I(0) i0 452169000.00 分子量 molecular_weight 102750.0 kDa 排除体积 excluded_volume 96779 ų 包络体积 envelope_volume 16269 ų 水化壳体积 shell_volume 10673 ų 包络直径 envelope_diameter 46.9 Å 壳层 Rg shell_rg 18.54 Å 包络 Rg envelope_rg 13.70 Å 形状 Rg shape_rg 11.84 Å 总 Rg total_rg 12.42 Å 总原子数 total_atoms 10460 残基数 n_residues 320 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 46.3 Å Rg (实空间) rg_real 11.97 Å Rg 误差 (实空间) rg_real_error 0.35 Å I(0) (实空间) i0_real 4.5220e+08 I(0) 误差 (实空间) i0_real_error 5.1010e+06 Rg (倒空间) rg_reciprocal 11.98 Å I(0) (倒空间) i0_reciprocal 452200000.0000 解质量估计 total_estimate 0.7165 解质量评级 solution_quality
REASONABLE
a REASONABLE solution
P(r) 峰数 n_peaks 3 主峰位置 r_peak_primary 15.2 Å 偏度 Skewness skewness 0.262 峰度 Kurtosis kurtosis -0.100 角度范围 angular_range — – 0.5000 Å−1 当前正则化参数 α current_alpha 0.0000 最高正则化参数 α highest_alpha 740000.0000 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: 0.472;
Stabil: 1.000;
Sysdev: 1.000;
Positv: 1.000;
Valcen: 0.895;
Smooth: 0.000
Entity 1
polymer
描述 description 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3' 分子量 formula_weight 5140.3 kDa 来源方法 src_method syn 拷贝数 entity_count 2
聚合体 Polymer
聚合体类型 type polydeoxyribonucleotide 链编号 strand_id A,B 原子数 atom_count 10460
GGGGTGGGAGGAGGGT
An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase
Proc.Natl.Acad.Sci.USA (2005)
Files (7)
pr_distribution /app/data/pr_computation/y8/1y8d/pr_distribution.jsonpr_output /app/data/pr_computation/y8/1y8d/1y8d.pr.outpr_plot /app/data/visualization/pr_computation/y8/1y8d/1y8d_pr_distribution.pngsaxs_curve_dat /app/data/saxs_computation/y8/1y8d/1y8d.datsaxs_fit /app/data/saxs_computation/y8/1y8d/1y8d.fitsaxs_log /app/data/saxs_computation/y8/1y8d/1y8d.logsaxs_plot /app/data/visualization/saxs_computation/y8/1y8d/1y8d_saxs_profile.png
Curves (3)
fit
/app/data/saxs_computation/y8/1y8d/1y8d.fit
pddf
/app/data/pr_computation/y8/1y8d/1y8d.pr.out
profile
/app/data/saxs_computation/y8/1y8d/1y8d.dat
