A-SPECTRIN SH3 DOMAIN V9L, A11V, V23L, M25C, V46W, V53L and V58L MUTANT

条目编号 entry_id	9eyb
沉积日期 deposition_date	2024-04-09
结构标题 title	A-SPECTRIN SH3 DOMAIN V9L, A11V, V23L, M25C, V46W, V53L and V58L MUTANT
关键词 keywords	Three-dimensional structure, SH3 domain, Cell signaling, Src-family, Hydrophobic-core mutations, SIGNALING PROTEIN; SIGNALING PROTEIN
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	12.90 Å
回转半径 Rg (电子) rg_electron	11.45 Å
零角强度 I(0) i0	1324360.00
分子量 molecular_weight	7703.0 kDa
排除体积 excluded_volume	9680 ų
包络体积 envelope_volume	10896 ų
水化壳体积 shell_volume	8439 ų
包络直径 envelope_diameter	40.4 Å
壳层 Rg shell_rg	16.70 Å
包络 Rg envelope_rg	11.90 Å
形状 Rg shape_rg	11.38 Å
总 Rg total_rg	13.04 Å
总原子数 total_atoms	541
残基数 n_residues	64
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	43.2 Å
Rg (实空间) rg_real	12.83 Å
Rg 误差 (实空间) rg_real_error	0.23 Å
I(0) (实空间) i0_real	1.3240e+06
I(0) 误差 (实空间) i0_real_error	1.3790e+04
Rg (倒空间) rg_reciprocal	12.83 Å
I(0) (倒空间) i0_reciprocal	1324000.0000
解质量估计 total_estimate	0.8692
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	16.4 Å
偏度 Skewness skewness	0.190
峰度 Kurtosis kurtosis	-0.237
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	256600.0000
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: 0.772; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.981

晶胞参数 Unit Cell

晶胞边长 a length_a	31.694 Å
晶胞边长 b length_b	36.949 Å
晶胞边长 c length_c	65.327 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	1.337 Å
最低分辨率 resolution_low	32.664 Å
R 因子 r_factor	—
R_work r_work	0.1410
R_free r_free	0.1748

衍射实验 Diffraction

实验温度 temperature

80.0 K

Files (7)

• pr_distribution /app/data/pr_computation/ey/9eyb/pr_distribution.json
• pr_output /app/data/pr_computation/ey/9eyb/9eyb.pr.out
• pr_plot /app/data/visualization/pr_computation/ey/9eyb/9eyb_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/ey/9eyb/9eyb.dat
• saxs_fit /app/data/saxs_computation/ey/9eyb/9eyb.fit
• saxs_log /app/data/saxs_computation/ey/9eyb/9eyb.log
• saxs_plot /app/data/visualization/saxs_computation/ey/9eyb/9eyb_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/ey/9eyb/9eyb.fit
pddf	/app/data/pr_computation/ey/9eyb/9eyb.pr.out
profile	/app/data/saxs_computation/ey/9eyb/9eyb.dat