;Crystal structure of long neurotoxin from the venom of the king cobra (3FTx-L15) in complex with Fab of broadly neutralizing antibody 95Mat5 ;

条目编号 entry_id	8sxp
沉积日期 deposition_date	2023-05-23
结构标题 title	;Crystal structure of long neurotoxin from the venom of the king cobra (3FTx-L15) in complex with Fab of broadly neutralizing antibody 95Mat5 ;
关键词 keywords	snake toxin, antibody, TOXIN, TOXIN-IMMUNE SYSTEM complex; TOXIN/IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	28.52 Å
回转半径 Rg (电子) rg_electron	28.02 Å
零角强度 I(0) i0	50143000.00
分子量 molecular_weight	54486.0 kDa
排除体积 excluded_volume	67748 ų
包络体积 envelope_volume	88571 ų
水化壳体积 shell_volume	27792 ų
包络直径 envelope_diameter	101.4 Å
壳层 Rg shell_rg	33.80 Å
包络 Rg envelope_rg	27.89 Å
形状 Rg shape_rg	27.94 Å
总 Rg total_rg	28.85 Å
总原子数 total_atoms	3827
残基数 n_residues	493
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	96.9 Å
Rg (实空间) rg_real	28.75 Å
Rg 误差 (实空间) rg_real_error	0.74 Å
I(0) (实空间) i0_real	5.0140e+07
I(0) 误差 (实空间) i0_real_error	6.8840e+05
Rg (倒空间) rg_reciprocal	28.69 Å
I(0) (倒空间) i0_reciprocal	50140000.0000
解质量估计 total_estimate	0.6546
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	31.2 Å
偏度 Skewness skewness	0.523
峰度 Kurtosis kurtosis	-0.161
角度范围 angular_range	— – 0.2800 Å−1
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	5792000.0000
实空间数据点数 n_real_points	57
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.830; Stabil: 1.000; Sysdev: 0.109; Positv: 1.000; Valcen: 0.867; Smooth: 0.820

晶胞参数 Unit Cell

晶胞边长 a length_a	135.860 Å
晶胞边长 b length_b	42.443 Å
晶胞边长 c length_c	103.356 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	103.70 °
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	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	2.900 Å
最低分辨率 resolution_low	45.490 Å
R 因子 r_factor	0.2638
R_work r_work	0.2610
R_free r_free	0.3200

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/sx/8sxp/pr_distribution.json
• pr_output /app/data/pr_computation/sx/8sxp/8sxp.pr.out
• pr_plot /app/data/visualization/pr_computation/sx/8sxp/8sxp_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/sx/8sxp/8sxp.dat
• saxs_fit /app/data/saxs_computation/sx/8sxp/8sxp.fit
• saxs_log /app/data/saxs_computation/sx/8sxp/8sxp.log
• saxs_plot /app/data/visualization/saxs_computation/sx/8sxp/8sxp_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/sx/8sxp/8sxp.fit
pddf	/app/data/pr_computation/sx/8sxp/8sxp.pr.out
profile	/app/data/saxs_computation/sx/8sxp/8sxp.dat