Crystal structure of the C-terminal domain of human TNC in complex with Adhiron 52

entry_id	9r5y
deposition_date	2025-05-11
title	Crystal structure of the C-terminal domain of human TNC in complex with Adhiron 52
keywords	Complex, protein protein interaction, Inhibitor, extracellular matrix, SIGNALING PROTEIN; SIGNALING PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	29.82 Å
rg_electron	30.00 Å
i0	71237700.00
molecular_weight	65170.0 kDa
excluded_volume	80668 ų
envelope_volume	100500 ų
shell_volume	29301 ų
envelope_diameter	117.7 Å
shell_rg	34.73 Å
envelope_rg	30.86 Å
shape_rg	29.99 Å
total_rg	30.43 Å
total_atoms	8912
n_residues	573
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	110.2 Å
rg_real	30.06 Å
rg_real_error	1.22 Å
i0_real	7.1240e+07
i0_real_error	1.1120e+06
rg_reciprocal	29.96 Å
i0_reciprocal	71230000.0000
total_estimate	0.8169
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.562
kurtosis	-0.082
angular_range	— – 0.2650 Å−1
current_alpha	0.0000
highest_alpha	10570000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.651; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.690; Smooth: 0.971

Unit Cell

length_a	77.535 Å
length_b	90.152 Å
length_c	104.409 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	1.399 Å
resolution_low	58.854 Å
r_factor	—
r_work	0.1608
r_free	0.1850

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/r5/9r5y/pr_distribution.json
• pr_output /app/data/pr_computation/r5/9r5y/9r5y.pr.out
• pr_plot /app/data/visualization/pr_computation/r5/9r5y/9r5y_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/r5/9r5y/9r5y.dat
• saxs_fit /app/data/saxs_computation/r5/9r5y/9r5y.fit
• saxs_log /app/data/saxs_computation/r5/9r5y/9r5y.log
• saxs_plot /app/data/visualization/saxs_computation/r5/9r5y/9r5y_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/r5/9r5y/9r5y.fit
pddf	/app/data/pr_computation/r5/9r5y/9r5y.pr.out
profile	/app/data/saxs_computation/r5/9r5y/9r5y.dat