Ruminococcus flavefaciens Coh-Doc complex between a group 2 Dockerin and the Cohesin from cell surface attached scaffoldin ScaE

条目编号 entry_id	9gvb
沉积日期 deposition_date	2024-09-23
最后修订 last_revision	2025-10-08
结构标题 title	Ruminococcus flavefaciens Coh-Doc complex between a group 2 Dockerin and the Cohesin from cell surface attached scaffoldin ScaE
关键词 keywords	Cohesin, Dockerin, Complex, Cellulosome, protein-protein interaction, assembly, PROTEIN BINDING; PROTEIN BINDING
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	20.42 Å
回转半径 Rg (电子) rg_electron	19.58 Å
零角强度 I(0) i0	16713800.00
分子量 molecular_weight	30794.0 kDa
排除体积 excluded_volume	38428 ų
包络体积 envelope_volume	44168 ų
水化壳体积 shell_volume	19301 ų
包络直径 envelope_diameter	77.2 Å
壳层 Rg shell_rg	25.76 Å
包络 Rg envelope_rg	20.08 Å
形状 Rg shape_rg	19.54 Å
总 Rg total_rg	20.56 Å
总原子数 total_atoms	2165
残基数 n_residues	286
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	73.5 Å
Rg (实空间) rg_real	20.45 Å
Rg 误差 (实空间) rg_real_error	0.69 Å
I(0) (实空间) i0_real	1.6710e+07
I(0) 误差 (实空间) i0_real_error	2.4530e+05
Rg (倒空间) rg_reciprocal	20.44 Å
I(0) (倒空间) i0_reciprocal	16710000.0000
解质量估计 total_estimate	0.7623
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	3
主峰位置 r_peak_primary	23.1 Å
偏度 Skewness skewness	0.470
峰度 Kurtosis kurtosis	0.002
角度范围 angular_range	— – 0.3900 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	4156000.0000
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: 0.652; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.952; Smooth: 0.000

晶胞参数 Unit Cell

晶胞边长 a length_a	142.390 Å
晶胞边长 b length_b	142.390 Å
晶胞边长 c length_c	57.596 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	120.00 °
晶胞分子数 Z z_pdb	12

对称性 Symmetry

空间群 space_group	P 64
空间群编号 int_tables_number	172
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	2.970 Å
最低分辨率 resolution_low	71.300 Å
R 因子 r_factor	0.1918
R_work r_work	0.1905
R_free r_free	0.2134

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/gv/9gvb/pr_distribution.json
• pr_output /app/data/pr_computation/gv/9gvb/9gvb.pr.out
• pr_plot /app/data/visualization/pr_computation/gv/9gvb/9gvb_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/gv/9gvb/9gvb.dat
• saxs_fit /app/data/saxs_computation/gv/9gvb/9gvb.fit
• saxs_log /app/data/saxs_computation/gv/9gvb/9gvb.log
• saxs_plot /app/data/visualization/saxs_computation/gv/9gvb/9gvb_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/gv/9gvb/9gvb.fit
pddf	/app/data/pr_computation/gv/9gvb/9gvb.pr.out
profile	/app/data/saxs_computation/gv/9gvb/9gvb.dat