;Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and native(K86Q) human heavy chain ferritin (Mg formate condition) ;

条目编号 entry_id	8pp2
沉积日期 deposition_date	2023-07-06
结构标题 title	;Binary crystal structure of positively supercharged ferritin variant Ftn(pos) and native(K86Q) human heavy chain ferritin (Mg formate condition) ;
关键词 keywords	Oxidoreductase, protein design, charged protein container, binary protein structures, self-assembly, binary nanocage assembly; OXIDOREDUCTASE
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	58.66 Å
回转半径 Rg (电子) rg_electron	59.86 Å
零角强度 I(0) i0	903686000.00
分子量 molecular_weight	243490.0 kDa
排除体积 excluded_volume	301940 ų
包络体积 envelope_volume	449410 ų
水化壳体积 shell_volume	69899 ų
包络直径 envelope_diameter	222.4 Å
壳层 Rg shell_rg	50.46 Å
包络 Rg envelope_rg	60.32 Å
形状 Rg shape_rg	59.85 Å
总 Rg total_rg	59.60 Å
总原子数 total_atoms	33934
残基数 n_residues	2064
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	201.1 Å
Rg (实空间) rg_real	59.61 Å
Rg 误差 (实空间) rg_real_error	2.05 Å
I(0) (实空间) i0_real	9.0360e+08
I(0) 误差 (实空间) i0_real_error	1.7690e+07
Rg (倒空间) rg_reciprocal	57.84 Å
I(0) (倒空间) i0_reciprocal	901200000.0000
解质量估计 total_estimate	0.7782
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	52.1 Å
偏度 Skewness skewness	0.688
峰度 Kurtosis kurtosis	-0.049
角度范围 angular_range	— – 0.1350 Å−1
当前正则化参数 α current_alpha	0.0001
最高正则化参数 α highest_alpha	32430000.0000
实空间数据点数 n_real_points	28
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.748; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.721; Smooth: 0.148

晶胞参数 Unit Cell

晶胞边长 a length_a	126.802 Å
晶胞边长 b length_b	126.802 Å
晶胞边长 c length_c	175.598 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	24

对称性 Symmetry

空间群 space_group	P 4
空间群编号 int_tables_number	75
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	2.001 Å
最低分辨率 resolution_low	49.061 Å
R 因子 r_factor	—
R_work r_work	0.2032
R_free r_free	0.2468

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/pp/8pp2/pr_distribution.json
• pr_output /app/data/pr_computation/pp/8pp2/8pp2.pr.out
• pr_plot /app/data/visualization/pr_computation/pp/8pp2/8pp2_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/pp/8pp2/8pp2.dat
• saxs_fit /app/data/saxs_computation/pp/8pp2/8pp2.fit
• saxs_log /app/data/saxs_computation/pp/8pp2/8pp2.log
• saxs_plot /app/data/visualization/saxs_computation/pp/8pp2/8pp2_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/pp/8pp2/8pp2.fit
pddf	/app/data/pr_computation/pp/8pp2/8pp2.pr.out
profile	/app/data/saxs_computation/pp/8pp2/8pp2.dat