Crystal Structure of Coxsackievirus B3 IRES Domain V in Complex with a Fab

条目编号 entry_id	9nln
沉积日期 deposition_date	2025-03-03
结构标题 title	Crystal Structure of Coxsackievirus B3 IRES Domain V in Complex with a Fab
关键词 keywords	IRES RNA, Enterovirus, Coxsackievirus B3, Viral translation, Viral RNA, RNA, RNA-IMMUNE SYSTEM complex; RNA/IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	63.61 Å
回转半径 Rg (电子) rg_electron	61.30 Å
零角强度 I(0) i0	744148000.00
分子量 molecular_weight	168790.0 kDa
排除体积 excluded_volume	186910 ų
包络体积 envelope_volume	328180 ų
水化壳体积 shell_volume	52656 ų
包络直径 envelope_diameter	264.0 Å
壳层 Rg shell_rg	49.15 Å
包络 Rg envelope_rg	63.17 Å
形状 Rg shape_rg	60.96 Å
总 Rg total_rg	61.77 Å
总原子数 total_atoms	11552
残基数 n_residues	1114
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	221.7 Å
Rg (实空间) rg_real	64.12 Å
Rg 误差 (实空间) rg_real_error	2.49 Å
I(0) (实空间) i0_real	7.4100e+08
I(0) 误差 (实空间) i0_real_error	1.7970e+07
Rg (倒空间) rg_reciprocal	62.27 Å
I(0) (倒空间) i0_reciprocal	740400000.0000
解质量估计 total_estimate	0.8145
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	62.1 Å
偏度 Skewness skewness	0.632
峰度 Kurtosis kurtosis	-0.072
角度范围 angular_range	— – 0.1250 Å−1
当前正则化参数 α current_alpha	0.0160
最高正则化参数 α highest_alpha	13970000.0000
实空间数据点数 n_real_points	26
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.746; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.814; Smooth: 0.532

晶胞参数 Unit Cell

晶胞边长 a length_a	108.927 Å
晶胞边长 b length_b	84.767 Å
晶胞边长 c length_c	109.671 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	106.72 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	4

对称性 Symmetry

空间群 space_group	P 1 21 1
空间群编号 int_tables_number	4
晶系 crystal_system	monoclinic

精修参数 Refinement

分辨率 resolution	3.000 Å
最低分辨率 resolution_low	33.530 Å
R 因子 r_factor	0.2179
R_work r_work	0.2157
R_free r_free	0.2636

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/nl/9nln/pr_distribution.json
• pr_output /app/data/pr_computation/nl/9nln/9nln.pr.out
• pr_plot /app/data/visualization/pr_computation/nl/9nln/9nln_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/nl/9nln/9nln.dat
• saxs_fit /app/data/saxs_computation/nl/9nln/9nln.fit
• saxs_log /app/data/saxs_computation/nl/9nln/9nln.log
• saxs_plot /app/data/visualization/saxs_computation/nl/9nln/9nln_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/nl/9nln/9nln.fit
pddf	/app/data/pr_computation/nl/9nln/9nln.pr.out
profile	/app/data/saxs_computation/nl/9nln/9nln.dat