X-ray structure of the oligonucleotide sequence d(AAATTT)

条目编号 entry_id	2g1z
沉积日期 deposition_date	2006-02-15
结构标题 title	X-ray structure of the oligonucleotide sequence d(AAATTT)
关键词 keywords	oligonucleotide, adenine, thymine, DNA; DNA
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	12.65 Å
回转半径 Rg (电子) rg_electron	12.29 Å
零角强度 I(0) i0	1460860.00
分子量 molecular_weight	5383.0 kDa
排除体积 excluded_volume	5375 ų
包络体积 envelope_volume	7166 ų
水化壳体积 shell_volume	5904 ų
包络直径 envelope_diameter	42.6 Å
壳层 Rg shell_rg	15.79 Å
包络 Rg envelope_rg	12.59 Å
形状 Rg shape_rg	12.16 Å
总 Rg total_rg	13.12 Å
总原子数 total_atoms	360
残基数 n_residues	18
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	44.5 Å
Rg (实空间) rg_real	12.77 Å
Rg 误差 (实空间) rg_real_error	0.33 Å
I(0) (实空间) i0_real	1.4610e+06
I(0) 误差 (实空间) i0_real_error	1.5680e+04
Rg (倒空间) rg_reciprocal	12.76 Å
I(0) (倒空间) i0_reciprocal	1461000.0000
解质量估计 total_estimate	0.6622
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	14.1 Å
偏度 Skewness skewness	0.545
峰度 Kurtosis kurtosis	-0.165
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	73270.0000
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: 0.704; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.737; Smooth: 0.987

晶胞参数 Unit Cell

晶胞边长 a length_a	43.127 Å
晶胞边长 b length_b	43.127 Å
晶胞边长 c length_c	176.579 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	54

对称性 Symmetry

空间群 space_group	H 3 2
空间群编号 int_tables_number	155
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	3.110 Å
最低分辨率 resolution_low	25.000 Å
R 因子 r_factor	0.2913
R_work r_work	0.2818
R_free r_free	0.3796

衍射实验 Diffraction

实验温度 temperature

120.0 K

Files (7)

• pr_distribution /app/data/pr_computation/g1/2g1z/pr_distribution.json
• pr_output /app/data/pr_computation/g1/2g1z/2g1z.pr.out
• pr_plot /app/data/visualization/pr_computation/g1/2g1z/2g1z_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/g1/2g1z/2g1z.dat
• saxs_fit /app/data/saxs_computation/g1/2g1z/2g1z.fit
• saxs_log /app/data/saxs_computation/g1/2g1z/2g1z.log
• saxs_plot /app/data/visualization/saxs_computation/g1/2g1z/2g1z_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/g1/2g1z/2g1z.fit
pddf	/app/data/pr_computation/g1/2g1z/2g1z.pr.out
profile	/app/data/saxs_computation/g1/2g1z/2g1z.dat