;Three viral endonucleases bound to the same inhibitor (9-hydroxy-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione derivative). (1b) Influenza virus A/pH1N1 polymerase PA subunit endonuclease with manganese ions. ;

条目编号 entry_id	29sl
沉积日期 deposition_date	2026-04-02
最后修订 last_revision	2026-04-15
结构标题 title	;Three viral endonucleases bound to the same inhibitor (9-hydroxy-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione derivative). (1b) Influenza virus A/pH1N1 polymerase PA subunit endonuclease with manganese ions. ;
关键词 keywords	Viral endonuclease, two-metal chelating inhibitor, RNA BINDING PROTEIN; RNA BINDING PROTEIN
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	24.64 Å
回转半径 Rg (电子) rg_electron	23.55 Å
零角强度 I(0) i0	32638500.00
分子量 molecular_weight	44275.0 kDa
排除体积 excluded_volume	55492 ų
包络体积 envelope_volume	66481 ų
水化壳体积 shell_volume	24180 ų
包络直径 envelope_diameter	84.7 Å
壳层 Rg shell_rg	30.11 Å
包络 Rg envelope_rg	23.64 Å
形状 Rg shape_rg	23.53 Å
总 Rg total_rg	24.42 Å
总原子数 total_atoms	6142
残基数 n_residues	359
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	86.6 Å
Rg (实空间) rg_real	24.69 Å
Rg 误差 (实空间) rg_real_error	0.83 Å
I(0) (实空间) i0_real	3.2640e+07
I(0) 误差 (实空间) i0_real_error	4.6590e+05
Rg (倒空间) rg_reciprocal	24.68 Å
I(0) (倒空间) i0_reciprocal	32640000.0000
解质量估计 total_estimate	0.7757
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	24.7 Å
偏度 Skewness skewness	0.387
峰度 Kurtosis kurtosis	-0.412
角度范围 angular_range	— – 0.3200 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	13780000.0000
实空间数据点数 n_real_points	64
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.753; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.833; Smooth: 0.000

晶胞参数 Unit Cell

晶胞边长 a length_a	53.820 Å
晶胞边长 b length_b	74.220 Å
晶胞边长 c length_c	100.970 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	4

对称性 Symmetry

空间群 space_group	P 21 21 21
空间群编号 int_tables_number	19
晶系 crystal_system	orthorhombic

精修参数 Refinement

分辨率 resolution	2.000 Å
最低分辨率 resolution_low	47.490 Å
R 因子 r_factor	0.1996
R_work r_work	0.1978
R_free r_free	0.2336

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/9s/29sl/pr_distribution.json
• pr_output /app/data/pr_computation/9s/29sl/29sl.pr.out
• pr_plot /app/data/visualization/pr_computation/9s/29sl/29sl_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/9s/29sl/29sl.dat
• saxs_fit /app/data/saxs_computation/9s/29sl/29sl.fit
• saxs_log /app/data/saxs_computation/9s/29sl/29sl.log
• saxs_plot /app/data/visualization/saxs_computation/9s/29sl/29sl_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/9s/29sl/29sl.fit
pddf	/app/data/pr_computation/9s/29sl/29sl.pr.out
profile	/app/data/saxs_computation/9s/29sl/29sl.dat