Crystal structure of Bet v 1.0101 in complex with human IgE Fab 2H22

entry_id	9y0e
deposition_date	2025-08-28
title	Crystal structure of Bet v 1.0101 in complex with human IgE Fab 2H22
keywords	allergen, IgE, IgE Fab, allergen-antibody complex, IMMUNE SYSTEM, ALLERGEN-IMMUNE SYSTEM complex; ALLERGEN/IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	30.80 Å
rg_electron	30.70 Å
i0	63545200.00
molecular_weight	62712.0 kDa
excluded_volume	78347 ų
envelope_volume	101040 ų
shell_volume	29785 ų
envelope_diameter	109.7 Å
shell_rg	34.91 Å
envelope_rg	30.80 Å
shape_rg	30.68 Å
total_rg	31.14 Å
total_atoms	4426
n_residues	596
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	107.5 Å
rg_real	31.14 Å
rg_real_error	1.04 Å
i0_real	6.3550e+07
i0_real_error	1.0200e+06
rg_reciprocal	31.00 Å
i0_reciprocal	63540000.0000
total_estimate	0.8067
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	29.5 Å
skewness	0.628
kurtosis	-0.052
angular_range	— – 0.2550 Å−1
current_alpha	0.0000
highest_alpha	13380000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.727; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.686; Smooth: 0.617

Unit Cell

length_a	150.971 Å
length_b	70.258 Å
length_c	78.247 Å
angle_alpha	90.00 °
angle_beta	116.38 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

Refinement

resolution	2.900 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.1962
r_free	0.2570

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/y0/9y0e/pr_distribution.json
• pr_output /app/data/pr_computation/y0/9y0e/9y0e.pr.out
• pr_plot /app/data/visualization/pr_computation/y0/9y0e/9y0e_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/y0/9y0e/9y0e.dat
• saxs_fit /app/data/saxs_computation/y0/9y0e/9y0e.fit
• saxs_log /app/data/saxs_computation/y0/9y0e/9y0e.log
• saxs_plot /app/data/visualization/saxs_computation/y0/9y0e/9y0e_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/y0/9y0e/9y0e.fit
pddf	/app/data/pr_computation/y0/9y0e/9y0e.pr.out
profile	/app/data/saxs_computation/y0/9y0e/9y0e.dat