A-SPECTRIN SH3 DOMAIN V9L, A11V, V23I, M25V, V46F, V53L, V58L MUTANT

条目编号 entry_id	9ih7
沉积日期 deposition_date	2025-02-20
结构标题 title	A-SPECTRIN SH3 DOMAIN V9L, A11V, V23I, M25V, V46F, V53L, V58L MUTANT
关键词 keywords	Three-dimensional structure, SH3 domain, Cell signaling, Src-family, Hydrophobic-core mutations, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	12.38 Å
回转半径 Rg (电子) rg_electron	10.61 Å
零角强度 I(0) i0	1016130.00
分子量 molecular_weight	6913.0 kDa
排除体积 excluded_volume	8816 ų
包络体积 envelope_volume	9509 ų
水化壳体积 shell_volume	7860 ų
包络直径 envelope_diameter	37.0 Å
壳层 Rg shell_rg	16.02 Å
包络 Rg envelope_rg	11.02 Å
形状 Rg shape_rg	10.53 Å
总 Rg total_rg	12.38 Å
总原子数 total_atoms	488
残基数 n_residues	58
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	38.6 Å
Rg (实空间) rg_real	12.29 Å
Rg 误差 (实空间) rg_real_error	0.22 Å
I(0) (实空间) i0_real	1.0160e+06
I(0) 误差 (实空间) i0_real_error	1.1330e+04
Rg (倒空间) rg_reciprocal	12.30 Å
I(0) (倒空间) i0_reciprocal	1016000.0000
解质量估计 total_estimate	0.7429
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	16.1 Å
偏度 Skewness skewness	0.108
峰度 Kurtosis kurtosis	-0.281
角度范围 angular_range	— – 0.5000 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	182600.0000
实空间数据点数 n_real_points	80
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.873; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.989; Smooth: 0.942

晶胞参数 Unit Cell

晶胞边长 a length_a	28.707 Å
晶胞边长 b length_b	42.584 Å
晶胞边长 c length_c	47.957 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	—

精修参数 Refinement

分辨率 resolution	1.120 Å
最低分辨率 resolution_low	31.840 Å
R 因子 r_factor	0.2055
R_work r_work	0.2048
R_free r_free	0.2188

衍射实验 Diffraction

实验温度 temperature

80.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ih/9ih7/pr_distribution.json
• pr_output /app/data/pr_computation/ih/9ih7/9ih7.pr.out
• pr_plot /app/data/visualization/pr_computation/ih/9ih7/9ih7_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ih/9ih7/9ih7.dat
• saxs_fit /app/data/saxs_computation/ih/9ih7/9ih7.fit
• saxs_log /app/data/saxs_computation/ih/9ih7/9ih7.log
• saxs_plot /app/data/visualization/saxs_computation/ih/9ih7/9ih7_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ih/9ih7/9ih7.fit
pddf	/app/data/pr_computation/ih/9ih7/9ih7.pr.out
profile	/app/data/saxs_computation/ih/9ih7/9ih7.dat