;[4,8,7-2] Shifted tensegrity triangle with an (arm,center,arm) distribution of (4,8,7) base pairs and 2 nt sticky ends complexing calcium ;

条目编号 entry_id	9osm
沉积日期 deposition_date	2025-05-24
最后修订 last_revision	2025-07-09
结构标题 title	;[4,8,7-2] Shifted tensegrity triangle with an (arm,center,arm) distribution of (4,8,7) base pairs and 2 nt sticky ends complexing calcium ;
关键词 keywords	tensegrity triangle, DNA; DNA
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	15.85 Å
回转半径 Rg (电子) rg_electron	15.34 Å
零角强度 I(0) i0	8204300.00
分子量 molecular_weight	12972.0 kDa
排除体积 excluded_volume	12558 ų
包络体积 envelope_volume	17695 ų
水化壳体积 shell_volume	10492 ų
包络直径 envelope_diameter	51.1 Å
壳层 Rg shell_rg	19.85 Å
包络 Rg envelope_rg	15.41 Å
形状 Rg shape_rg	15.25 Å
总 Rg total_rg	16.03 Å
总原子数 total_atoms	857
残基数 n_residues	42
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	50.9 Å
Rg (实空间) rg_real	15.80 Å
Rg 误差 (实空间) rg_real_error	0.30 Å
I(0) (实空间) i0_real	8.2040e+06
I(0) 误差 (实空间) i0_real_error	9.3310e+04
Rg (倒空间) rg_reciprocal	15.81 Å
I(0) (倒空间) i0_reciprocal	8204000.0000
解质量估计 total_estimate	0.8213
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	19.3 Å
偏度 Skewness skewness	0.237
峰度 Kurtosis kurtosis	-0.336
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	441600.0000
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: 0.894; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

晶胞参数 Unit Cell

晶胞边长 a length_a	111.704 Å
晶胞边长 b length_b	111.704 Å
晶胞边长 c length_c	67.674 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	120.00 °
晶胞分子数 Z z_pdb	9

对称性 Symmetry

空间群 space_group	H 3
空间群编号 int_tables_number	146
晶系 crystal_system	trigonal

精修参数 Refinement

分辨率 resolution	2.930 Å
最低分辨率 resolution_low	39.350 Å
R 因子 r_factor	0.2323
R_work r_work	0.2289
R_free r_free	0.2909

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/os/9osm/pr_distribution.json
• pr_output /app/data/pr_computation/os/9osm/9osm.pr.out
• pr_plot /app/data/visualization/pr_computation/os/9osm/9osm_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/os/9osm/9osm.dat
• saxs_fit /app/data/saxs_computation/os/9osm/9osm.fit
• saxs_log /app/data/saxs_computation/os/9osm/9osm.log
• saxs_plot /app/data/visualization/saxs_computation/os/9osm/9osm_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/os/9osm/9osm.fit
pddf	/app/data/pr_computation/os/9osm/9osm.pr.out
profile	/app/data/saxs_computation/os/9osm/9osm.dat