Antibody-antigen complex

entry_id	9tpp
deposition_date	2025-12-18
last_revision	2026-05-27
title	Antibody-antigen complex
keywords	antibody, nitrotyrosine, complex, PROTEIN BINDING; PROTEIN BINDING
method	X-RAY DIFFRACTION

rg_guinier	25.05 Å
rg_electron	24.09 Å
i0	38128400.00
molecular_weight	47363.0 kDa
excluded_volume	59001 ų
envelope_volume	71007 ų
shell_volume	24843 ų
envelope_diameter	79.1 Å
shell_rg	30.94 Å
envelope_rg	23.78 Å
shape_rg	24.08 Å
total_rg	24.91 Å
total_atoms	3333
n_residues	434
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	77.7 Å
rg_real	25.03 Å
rg_real_error	0.52 Å
i0_real	3.8130e+07
i0_real_error	5.7450e+05
rg_reciprocal	25.04 Å
i0_reciprocal	38130000.0000
total_estimate	0.9103
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.4 Å
skewness	0.273
kurtosis	-0.525
angular_range	— – 0.3150 Å−1
current_alpha	0.0000
highest_alpha	7711000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.964; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.950

Unit Cell

length_a	58.131 Å
length_b	61.685 Å
length_c	117.047 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

Refinement

resolution	1.800 Å
resolution_low	42.310 Å
r_factor	0.1698
r_work	0.1680
r_free	0.2017

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/tp/9tpp/pr_distribution.json
• pr_output /app/data/pr_computation/tp/9tpp/9tpp.pr.out
• pr_plot /app/data/visualization/pr_computation/tp/9tpp/9tpp_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/tp/9tpp/9tpp.dat
• saxs_fit /app/data/saxs_computation/tp/9tpp/9tpp.fit
• saxs_log /app/data/saxs_computation/tp/9tpp/9tpp.log
• saxs_plot /app/data/visualization/saxs_computation/tp/9tpp/9tpp_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/tp/9tpp/9tpp.fit
pddf	/app/data/pr_computation/tp/9tpp/9tpp.pr.out
profile	/app/data/saxs_computation/tp/9tpp/9tpp.dat