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9zzv

Human T-cell receptor (TCR) with computationally designed orthogonal interface

Method: X-RAY DIFFRACTION D_max: 54.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9zzv
deposition_date	2026-01-08
last_revision	2026-01-28
title	Human T-cell receptor (TCR) with computationally designed orthogonal interface
keywords	TCR, computational protein design, IMMUNE SYSTEM; IMMUNE SYSTEM
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	17.41 Å
rg_electron	16.29 Å
i0	8745640.00
molecular_weight	21662.0 kDa
excluded_volume	27071 Å³
envelope_volume	31742 Å³
shell_volume	16173 Å³
envelope_diameter	57.0 Å
shell_rg	22.39 Å
envelope_rg	16.67 Å
shape_rg	16.29 Å
total_rg	17.34 Å
total_atoms	1529
n_residues	194
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	54.9 Å
rg_real	17.29 Å
rg_real_error	0.35 Å
i0_real	8.7460e+06
i0_real_error	1.1030e+05
rg_reciprocal	17.30 Å
i0_reciprocal	8746000.0000
total_estimate	0.8121
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	22.0 Å
skewness	0.124
kurtosis	-0.416
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	2462000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Orthogonal T-cell receptor alpha constant domain (combiC26a)
formula_weight	12082.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1634

HHHHHHHHGSPYIQNPQPAVYQLRDSKSSDKFVCLFTHFDSQIAVSQSKDSDVYITDKCVLDMRSMDRKKNRAVAWSAKSDFTCANAFANSIIPEDTKFPSPESSC

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo sapiens

Entity 2 polymer

description	Orthogonal T-cell receptor beta constant domain (combiC26b)
formula_weight	14739.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

EDLKNVFPPEVAVFEPSKAEISLTQEATLVCLATGFYPPHVELSWWVNGKEVHDGVCTDPQPLKEQPALADSRYALSSTLSVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRADC

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo sapiens

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

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6. Citations (1)

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length_a	53.458 Å
length_b	53.458 Å
length_c	163.788 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 61
int_tables_number	169
crystal_system	hexagonal

resolution	2.050 Å
resolution_low	23.150 Å
r_factor	0.2012
r_work	0.1961
r_free	0.2477

fit	/app/data/saxs_computation/zz/9zzv/9zzv.fit
pddf	/app/data/pr_computation/zz/9zzv/9zzv.pr.out
profile	/app/data/saxs_computation/zz/9zzv/9zzv.dat

Human T-cell receptor (TCR) with computationally designed orthogonal interface

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)