Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (orthorhombic form)

条目编号 entry_id	8vtr
沉积日期 deposition_date	2024-01-26
结构标题 title	Structure of FabS1CE3-EPR-1, an elbow-locked high affinity antibody for the erythropoeitin receptor (orthorhombic form)
关键词 keywords	proliferation, engineered antibody, high-affinity binding, enhanced crystallization, IMMUNE SYSTEM; IMMUNE SYSTEM
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	30.45 Å
回转半径 Rg (电子) rg_electron	30.34 Å
零角强度 I(0) i0	35263600.00
分子量 molecular_weight	45887.0 kDa
排除体积 excluded_volume	57087 ų
包络体积 envelope_volume	75638 ų
水化壳体积 shell_volume	23109 ų
包络直径 envelope_diameter	109.7 Å
壳层 Rg shell_rg	33.70 Å
包络 Rg envelope_rg	30.24 Å
形状 Rg shape_rg	30.35 Å
总 Rg total_rg	30.60 Å
总原子数 total_atoms	3227
残基数 n_residues	424
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	104.3 Å
Rg (实空间) rg_real	30.77 Å
Rg 误差 (实空间) rg_real_error	1.05 Å
I(0) (实空间) i0_real	3.5260e+07
I(0) 误差 (实空间) i0_real_error	6.1080e+05
Rg (倒空间) rg_reciprocal	30.64 Å
I(0) (倒空间) i0_reciprocal	35260000.0000
解质量估计 total_estimate	0.8039
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	24.1 Å
偏度 Skewness skewness	0.500
峰度 Kurtosis kurtosis	-0.366
角度范围 angular_range	— – 0.2600 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4348000.0000
实空间数据点数 n_real_points	53
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.749; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.530; Smooth: 0.672

晶胞参数 Unit Cell

晶胞边长 a length_a	73.199 Å
晶胞边长 b length_b	74.275 Å
晶胞边长 c length_c	93.335 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	1.960 Å
最低分辨率 resolution_low	58.120 Å
R 因子 r_factor	0.1893
R_work r_work	0.1874
R_free r_free	0.2275

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/vt/8vtr/pr_distribution.json
• pr_output /app/data/pr_computation/vt/8vtr/8vtr.pr.out
• pr_plot /app/data/visualization/pr_computation/vt/8vtr/8vtr_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/vt/8vtr/8vtr.dat
• saxs_fit /app/data/saxs_computation/vt/8vtr/8vtr.fit
• saxs_log /app/data/saxs_computation/vt/8vtr/8vtr.log
• saxs_plot /app/data/visualization/saxs_computation/vt/8vtr/8vtr_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/vt/8vtr/8vtr.fit
pddf	/app/data/pr_computation/vt/8vtr/8vtr.pr.out
profile	/app/data/saxs_computation/vt/8vtr/8vtr.dat