STRUCTURE OF THE HYBRID RNA/DNA R-GCUUCGGC-D[F]U IN PRESENCE OF IR(NH3)6+++

条目编号 entry_id	1icg
沉积日期 deposition_date	2001-03-31
结构标题 title	STRUCTURE OF THE HYBRID RNA/DNA R-GCUUCGGC-D[F]U IN PRESENCE OF IR(NH3)6+++
关键词 keywords	RNA/DNA HYBRID, FLUORO-URACIL, C-U MISMATCH, G-U MISMATCH, RHODIUM HEXAMMINE, IRIDIUM HEXAMMINE, DNA-RNA COMPLEX; DNA/RNA
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	12.33 Å
回转半径 Rg (电子) rg_electron	11.85 Å
零角强度 I(0) i0	2370520.00
分子量 molecular_weight	6293.0 kDa
排除体积 excluded_volume	5680 ų
包络体积 envelope_volume	7992 ų
水化壳体积 shell_volume	6558 ų
包络直径 envelope_diameter	50.0 Å
壳层 Rg shell_rg	16.06 Å
包络 Rg envelope_rg	12.51 Å
形状 Rg shape_rg	11.66 Å
总 Rg total_rg	12.73 Å
总原子数 total_atoms	388
残基数 n_residues	16
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	54.1 Å
Rg (实空间) rg_real	12.40 Å
Rg 误差 (实空间) rg_real_error	0.69 Å
I(0) (实空间) i0_real	2.3710e+06
I(0) 误差 (实空间) i0_real_error	3.2430e+04
Rg (倒空间) rg_reciprocal	12.40 Å
I(0) (倒空间) i0_reciprocal	2371000.0000
解质量估计 total_estimate	0.7013
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	14.4 Å
偏度 Skewness skewness	0.542
峰度 Kurtosis kurtosis	0.435
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	100700.0000
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: 0.266; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.317; Smooth: 0.997

晶胞参数 Unit Cell

晶胞边长 a length_a	53.750 Å
晶胞边长 b length_b	19.400 Å
晶胞边长 c length_c	45.840 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	105.70 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

对称性 Symmetry

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	1.530 Å
最低分辨率 resolution_low	8.000 Å
R 因子 r_factor	0.1770
R_work r_work	0.1770
R_free r_free	0.2050

衍射实验 Diffraction

实验温度 temperature

277.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ic/1icg/pr_distribution.json
• pr_output /app/data/pr_computation/ic/1icg/1icg.pr.out
• pr_plot /app/data/visualization/pr_computation/ic/1icg/1icg_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ic/1icg/1icg.dat
• saxs_fit /app/data/saxs_computation/ic/1icg/1icg.fit
• saxs_log /app/data/saxs_computation/ic/1icg/1icg.log
• saxs_plot /app/data/visualization/saxs_computation/ic/1icg/1icg_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ic/1icg/1icg.fit
pddf	/app/data/pr_computation/ic/1icg/1icg.pr.out
profile	/app/data/saxs_computation/ic/1icg/1icg.dat