Crystal structure of SCV PTE G18U RNA in complex with Fab BL3-6

条目编号 entry_id	8t2o
沉积日期 deposition_date	2023-06-06
结构标题 title	Crystal structure of SCV PTE G18U RNA in complex with Fab BL3-6
关键词 keywords	;Viral RNA, Fab, translation, 3'CITE, RNA, RNA-IMMUNE SYSTEM complex ;; RNA/IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	42.60 Å
回转半径 Rg (电子) rg_electron	42.77 Å
零角强度 I(0) i0	149230000.00
分子量 molecular_weight	76196.0 kDa
排除体积 excluded_volume	85606 ų
包络体积 envelope_volume	132150 ų
水化壳体积 shell_volume	30975 ų
包络直径 envelope_diameter	160.9 Å
壳层 Rg shell_rg	38.54 Å
包络 Rg envelope_rg	43.44 Å
形状 Rg shape_rg	42.57 Å
总 Rg total_rg	43.03 Å
总原子数 total_atoms	5235
残基数 n_residues	527
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	152.1 Å
Rg (实空间) rg_real	43.44 Å
Rg 误差 (实空间) rg_real_error	2.54 Å
I(0) (实空间) i0_real	1.4920e+08
I(0) 误差 (实空间) i0_real_error	3.3590e+06
Rg (倒空间) rg_reciprocal	42.61 Å
I(0) (倒空间) i0_reciprocal	149100000.0000
解质量估计 total_estimate	0.6871
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	28.8 Å
偏度 Skewness skewness	0.666
峰度 Kurtosis kurtosis	-0.315
角度范围 angular_range	— – 0.1850 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	3971000.0000
实空间数据点数 n_real_points	38
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.434; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.243; Smooth: 0.383

晶胞参数 Unit Cell

晶胞边长 a length_a	77.769 Å
晶胞边长 b length_b	81.551 Å
晶胞边长 c length_c	322.768 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	90.00 °
晶胞分子数 Z z_pdb	8

对称性 Symmetry

空间群 space_group	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	orthorhombic

精修参数 Refinement

分辨率 resolution	3.290 Å
最低分辨率 resolution_low	64.990 Å
R 因子 r_factor	0.1825
R_work r_work	0.1756
R_free r_free	0.2432

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/t2/8t2o/pr_distribution.json
• pr_output /app/data/pr_computation/t2/8t2o/8t2o.pr.out
• pr_plot /app/data/visualization/pr_computation/t2/8t2o/8t2o_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/t2/8t2o/8t2o.dat
• saxs_fit /app/data/saxs_computation/t2/8t2o/8t2o.fit
• saxs_log /app/data/saxs_computation/t2/8t2o/8t2o.log
• saxs_plot /app/data/visualization/saxs_computation/t2/8t2o/8t2o_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/t2/8t2o/8t2o.fit
pddf	/app/data/pr_computation/t2/8t2o/8t2o.pr.out
profile	/app/data/saxs_computation/t2/8t2o/8t2o.dat