rat HEV P domain in complex with glycan-sensitive nAb p60.12

条目编号 entry_id	8pmx
沉积日期 deposition_date	2023-06-29
结构标题 title	rat HEV P domain in complex with glycan-sensitive nAb p60.12
关键词 keywords	rat HEV, P domain, non-glycosylated, glycan-sensitive, neutralizing antibody (nAb), VIRAL PROTEIN; VIRAL PROTEIN
实验方法 method	X-RAY DIFFRACTION

回转半径 Rg (Guinier) rg_guinier	33.59 Å
回转半径 Rg (电子) rg_electron	33.66 Å
零角强度 I(0) i0	98233700.00
分子量 molecular_weight	78968.0 kDa
排除体积 excluded_volume	98740 ų
包络体积 envelope_volume	132990 ų
水化壳体积 shell_volume	35143 ų
包络直径 envelope_diameter	125.1 Å
壳层 Rg shell_rg	37.75 Å
包络 Rg envelope_rg	34.22 Å
形状 Rg shape_rg	33.63 Å
总 Rg total_rg	34.08 Å
总原子数 total_atoms	5571
残基数 n_residues	735
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	119.9 Å
Rg (实空间) rg_real	33.89 Å
Rg 误差 (实空间) rg_real_error	1.33 Å
I(0) (实空间) i0_real	9.8230e+07
I(0) 误差 (实空间) i0_real_error	1.6550e+06
Rg (倒空间) rg_reciprocal	33.71 Å
I(0) (倒空间) i0_reciprocal	98220000.0000
解质量估计 total_estimate	0.7991
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	30.6 Å
偏度 Skewness skewness	0.596
峰度 Kurtosis kurtosis	-0.244
角度范围 angular_range	— – 0.2350 Å−1
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	26000000.0000
实空间数据点数 n_real_points	48
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.612; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.585; Smooth: 0.963

晶胞参数 Unit Cell

晶胞边长 a length_a	112.856 Å
晶胞边长 b length_b	112.856 Å
晶胞边长 c length_c	184.439 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	16

对称性 Symmetry

空间群 space_group	P 43 21 2
空间群编号 int_tables_number	96
晶系 crystal_system	—

精修参数 Refinement

分辨率 resolution	3.922 Å
最低分辨率 resolution_low	48.680 Å
R 因子 r_factor	0.3038
R_work r_work	0.3000
R_free r_free	0.3615

衍射实验 Diffraction

实验温度 temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/pm/8pmx/pr_distribution.json
• pr_output /app/data/pr_computation/pm/8pmx/8pmx.pr.out
• pr_plot /app/data/visualization/pr_computation/pm/8pmx/8pmx_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/pm/8pmx/8pmx.dat
• saxs_fit /app/data/saxs_computation/pm/8pmx/8pmx.fit
• saxs_log /app/data/saxs_computation/pm/8pmx/8pmx.log
• saxs_plot /app/data/visualization/saxs_computation/pm/8pmx/8pmx_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/pm/8pmx/8pmx.fit
pddf	/app/data/pr_computation/pm/8pmx/8pmx.pr.out
profile	/app/data/saxs_computation/pm/8pmx/8pmx.dat