Structure of the Tesup-1 proline-rich binding domain in complex with the proline-rich region of Pih1d1

条目编号 entry_id	9g7u
沉积日期 deposition_date	2024-07-22
最后修订 last_revision	2026-02-04
结构标题 title	Structure of the Tesup-1 proline-rich binding domain in complex with the proline-rich region of Pih1d1
关键词 keywords	Proline-rich binding domain, proline-rich peptide, polyproline II helix, PROTEIN BINDING; PROTEIN BINDING
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	20.17 Å
回转半径 Rg (电子) rg_electron	19.77 Å
零角强度 I(0) i0	4472810.00
分子量 molecular_weight	15162.0 kDa
排除体积 excluded_volume	18815 ų
包络体积 envelope_volume	23546 ų
水化壳体积 shell_volume	11229 ų
包络直径 envelope_diameter	76.2 Å
壳层 Rg shell_rg	23.82 Å
包络 Rg envelope_rg	20.47 Å
形状 Rg shape_rg	19.73 Å
总 Rg total_rg	20.55 Å
总原子数 total_atoms	2076
残基数 n_residues	126
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	77.5 Å
Rg (实空间) rg_real	20.45 Å
Rg 误差 (实空间) rg_real_error	0.85 Å
I(0) (实空间) i0_real	4.4730e+06
I(0) 误差 (实空间) i0_real_error	6.9420e+04
Rg (倒空间) rg_reciprocal	20.40 Å
I(0) (倒空间) i0_reciprocal	4473000.0000
解质量估计 total_estimate	0.5743
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	16.6 Å
偏度 Skewness skewness	0.604
峰度 Kurtosis kurtosis	-0.192
角度范围 angular_range	— – 0.3950 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	1469000.0000
实空间数据点数 n_real_points	71
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.349; Stabil: 1.000; Sysdev: 0.406; Positv: 1.000; Valcen: 0.202; Smooth: 0.996

晶胞参数 Unit Cell

晶胞边长 a length_a	41.387 Å
晶胞边长 b length_b	75.087 Å
晶胞边长 c length_c	112.005 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	I 2 2 2
空间群编号 int_tables_number	23
晶系 crystal_system	orthorhombic

精修参数 Refinement

分辨率 resolution	2.100 Å
最低分辨率 resolution_low	37.540 Å
R 因子 r_factor	0.2504
R_work r_work	0.2501
R_free r_free	0.2566

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/g7/9g7u/pr_distribution.json
• pr_output /app/data/pr_computation/g7/9g7u/9g7u.pr.out
• pr_plot /app/data/visualization/pr_computation/g7/9g7u/9g7u_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/g7/9g7u/9g7u.dat
• saxs_fit /app/data/saxs_computation/g7/9g7u/9g7u.fit
• saxs_log /app/data/saxs_computation/g7/9g7u/9g7u.log
• saxs_plot /app/data/visualization/saxs_computation/g7/9g7u/9g7u_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/g7/9g7u/9g7u.fit
pddf	/app/data/pr_computation/g7/9g7u/9g7u.pr.out
profile	/app/data/saxs_computation/g7/9g7u/9g7u.dat