Crystal structure of anti-human CLEC12A antibody 50C1

条目编号 entry_id	8w9h
沉积日期 deposition_date	2023-09-05
结构标题 title	Crystal structure of anti-human CLEC12A antibody 50C1
关键词 keywords	C-type lectin receptor, inhibitory antibody, 50C1, IMMUNE SYSTEM; IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	32.55 Å
回转半径 Rg (电子) rg_electron	31.40 Å
零角强度 I(0) i0	150173000.00
分子量 molecular_weight	94599.0 kDa
排除体积 excluded_volume	117070 ų
包络体积 envelope_volume	154620 ų
水化壳体积 shell_volume	40547 ų
包络直径 envelope_diameter	100.3 Å
壳层 Rg shell_rg	39.35 Å
包络 Rg envelope_rg	30.35 Å
形状 Rg shape_rg	31.40 Å
总 Rg total_rg	32.07 Å
总原子数 total_atoms	6655
残基数 n_residues	868
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	32.32 Å
Rg 误差 (实空间) rg_real_error	0.84 Å
I(0) (实空间) i0_real	1.5020e+08
I(0) 误差 (实空间) i0_real_error	2.6130e+06
Rg (倒空间) rg_reciprocal	32.42 Å
I(0) (倒空间) i0_reciprocal	150200000.0000
解质量估计 total_estimate	0.9065
解质量评级 solution_quality	EXCELLENT a EXCELLENT solution
P(r) 峰数 n_peaks	1
主峰位置 r_peak_primary	43.5 Å
偏度 Skewness skewness	0.017
峰度 Kurtosis kurtosis	-0.658
角度范围 angular_range	— – 0.2450 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	16390000.0000
实空间数据点数 n_real_points	50
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.966; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.893

晶胞参数 Unit Cell

晶胞边长 a length_a	110.440 Å
晶胞边长 b length_b	110.440 Å
晶胞边长 c length_c	76.242 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	P 41
空间群编号 int_tables_number	76
晶系 crystal_system	tetragonal

精修参数 Refinement

分辨率 resolution	2.000 Å
最低分辨率 resolution_low	36.810 Å
R 因子 r_factor	0.1911
R_work r_work	0.1890
R_free r_free	0.2326

衍射实验 Diffraction

实验温度 temperature

95.0 K

Files (7)

• pr_distribution /app/data/pr_computation/w9/8w9h/pr_distribution.json
• pr_output /app/data/pr_computation/w9/8w9h/8w9h.pr.out
• pr_plot /app/data/visualization/pr_computation/w9/8w9h/8w9h_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/w9/8w9h/8w9h.dat
• saxs_fit /app/data/saxs_computation/w9/8w9h/8w9h.fit
• saxs_log /app/data/saxs_computation/w9/8w9h/8w9h.log
• saxs_plot /app/data/visualization/saxs_computation/w9/8w9h/8w9h_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/w9/8w9h/8w9h.fit
pddf	/app/data/pr_computation/w9/8w9h/8w9h.pr.out
profile	/app/data/saxs_computation/w9/8w9h/8w9h.dat