Crystal structure of the complex between Neuronal Pentraxin 2 (NP2 PTX) and antibody fragment VHH N1

条目编号 entry_id	9lad
沉积日期 deposition_date	2025-01-02
结构标题 title	Crystal structure of the complex between Neuronal Pentraxin 2 (NP2 PTX) and antibody fragment VHH N1
关键词 keywords	Neuronal Pentraxin, ESPs, synaptic organizer, AMPAR, Nanobody, Mass photometry, Chronic itch, PROTEIN BINDING; PROTEIN BINDING
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	21.87 Å
回转半径 Rg (电子) rg_electron	20.92 Å
零角强度 I(0) i0	22743800.00
分子量 molecular_weight	36283.0 kDa
排除体积 excluded_volume	45327 ų
包络体积 envelope_volume	51652 ų
水化壳体积 shell_volume	21074 ų
包络直径 envelope_diameter	76.4 Å
壳层 Rg shell_rg	27.08 Å
包络 Rg envelope_rg	21.24 Å
形状 Rg shape_rg	20.90 Å
总 Rg total_rg	21.79 Å
总原子数 total_atoms	2555
残基数 n_residues	326
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	75.1 Å
Rg (实空间) rg_real	21.88 Å
Rg 误差 (实空间) rg_real_error	0.49 Å
I(0) (实空间) i0_real	2.2740e+07
I(0) 误差 (实空间) i0_real_error	3.1180e+05
Rg (倒空间) rg_reciprocal	21.88 Å
I(0) (倒空间) i0_reciprocal	22740000.0000
解质量估计 total_estimate	0.8672
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	25.8 Å
偏度 Skewness skewness	0.384
峰度 Kurtosis kurtosis	-0.268
角度范围 angular_range	— – 0.3650 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4035000.0000
实空间数据点数 n_real_points	68
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.785; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.945; Smooth: 0.971

晶胞参数 Unit Cell

晶胞边长 a length_a	93.574 Å
晶胞边长 b length_b	118.234 Å
晶胞边长 c length_c	39.464 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 2
空间群编号 int_tables_number	18
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	2.020 Å
最低分辨率 resolution_low	46.800 Å
R 因子 r_factor	—
R_work r_work	0.1816
R_free r_free	0.2197

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/la/9lad/pr_distribution.json
• pr_output /app/data/pr_computation/la/9lad/9lad.pr.out
• pr_plot /app/data/visualization/pr_computation/la/9lad/9lad_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/la/9lad/9lad.dat
• saxs_fit /app/data/saxs_computation/la/9lad/9lad.fit
• saxs_log /app/data/saxs_computation/la/9lad/9lad.log
• saxs_plot /app/data/visualization/saxs_computation/la/9lad/9lad_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/la/9lad/9lad.fit
pddf	/app/data/pr_computation/la/9lad/9lad.pr.out
profile	/app/data/saxs_computation/la/9lad/9lad.dat