monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface

条目编号 entry_id	8tjf
沉积日期 deposition_date	2023-07-21
结构标题 title	monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
关键词 keywords	IgG1 antigen binding fragment, mutated, IMMUNE SYSTEM; IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	33.40 Å
回转半径 Rg (电子) rg_electron	32.68 Å
零角强度 I(0) i0	137196000.00
分子量 molecular_weight	91966.0 kDa
排除体积 excluded_volume	114570 ų
包络体积 envelope_volume	152080 ų
水化壳体积 shell_volume	39433 ų
包络直径 envelope_diameter	112.2 Å
壳层 Rg shell_rg	38.99 Å
包络 Rg envelope_rg	31.92 Å
形状 Rg shape_rg	32.69 Å
总 Rg total_rg	33.15 Å
总原子数 total_atoms	6476
残基数 n_residues	856
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	106.8 Å
Rg (实空间) rg_real	33.35 Å
Rg 误差 (实空间) rg_real_error	0.90 Å
I(0) (实空间) i0_real	1.3720e+08
I(0) 误差 (实空间) i0_real_error	2.2290e+06
Rg (倒空间) rg_reciprocal	33.38 Å
I(0) (倒空间) i0_reciprocal	137200000.0000
解质量估计 total_estimate	0.8981
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	40.9 Å
偏度 Skewness skewness	0.242
峰度 Kurtosis kurtosis	-0.446
角度范围 angular_range	— – 0.2350 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	14250000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.846

晶胞参数 Unit Cell

晶胞边长 a length_a	71.783 Å
晶胞边长 b length_b	78.698 Å
晶胞边长 c length_c	75.658 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	91.84 °
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	—

精修参数 Refinement

分辨率 resolution	2.300 Å
最低分辨率 resolution_low	37.838 Å
R 因子 r_factor	—
R_work r_work	0.2078
R_free r_free	0.2510

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/tj/8tjf/pr_distribution.json
• pr_output /app/data/pr_computation/tj/8tjf/8tjf.pr.out
• pr_plot /app/data/visualization/pr_computation/tj/8tjf/8tjf_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/tj/8tjf/8tjf.dat
• saxs_fit /app/data/saxs_computation/tj/8tjf/8tjf.fit
• saxs_log /app/data/saxs_computation/tj/8tjf/8tjf.log
• saxs_plot /app/data/visualization/saxs_computation/tj/8tjf/8tjf_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/tj/8tjf/8tjf.fit
pddf	/app/data/pr_computation/tj/8tjf/8tjf.pr.out
profile	/app/data/saxs_computation/tj/8tjf/8tjf.dat