Crystal structure of the Fab 40G5c in complex with a CD3 epsilon peptide

entry_id	9t46
deposition_date	2025-10-30
last_revision	2026-05-13
title	Crystal structure of the Fab 40G5c in complex with a CD3 epsilon peptide
keywords	IMMUNE SYSTEM, IMMUNOGLOBULIN, FAB FRAGMENT, ANTIGEN-ANTIBODY COMPLEX, T-CELL RECEPTOR COMPLEX, T-CELL ENGAGEMENT, EPITOPE; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	25.68 Å
rg_electron	24.69 Å
i0	42540800.00
molecular_weight	49508.0 kDa
excluded_volume	61479 ų
envelope_volume	75742 ų
shell_volume	25915 ų
envelope_diameter	88.8 Å
shell_rg	31.61 Å
envelope_rg	24.38 Å
shape_rg	24.65 Å
total_rg	25.58 Å
total_atoms	3483
n_residues	447
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	84.8 Å
rg_real	25.67 Å
rg_real_error	0.58 Å
i0_real	4.2540e+07
i0_real_error	6.0610e+05
rg_reciprocal	25.68 Å
i0_reciprocal	42540000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.7 Å
skewness	0.312
kurtosis	-0.458
angular_range	— – 0.3100 Å−1
current_alpha	0.0000
highest_alpha	10560000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.897; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.991

Unit Cell

length_a	63.519 Å
length_b	74.045 Å
length_c	104.527 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	—

Refinement

resolution	1.650 Å
resolution_low	60.420 Å
r_factor	0.1852
r_work	0.1831
r_free	0.2245

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/t4/9t46/pr_distribution.json
• pr_output /app/data/pr_computation/t4/9t46/9t46.pr.out
• pr_plot /app/data/visualization/pr_computation/t4/9t46/9t46_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/t4/9t46/9t46.dat
• saxs_fit /app/data/saxs_computation/t4/9t46/9t46.fit
• saxs_log /app/data/saxs_computation/t4/9t46/9t46.log
• saxs_plot /app/data/visualization/saxs_computation/t4/9t46/9t46_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/t4/9t46/9t46.fit
pddf	/app/data/pr_computation/t4/9t46/9t46.pr.out
profile	/app/data/saxs_computation/t4/9t46/9t46.dat