Crystal structure of nanobody Tnb165 with MERS-CoV RBD

entry_id	9uo0
deposition_date	2025-04-24
last_revision	2026-04-29
title	Crystal structure of nanobody Tnb165 with MERS-CoV RBD
keywords	MERS-CoV, nanobody, VIRAL PROTEIN-IMMUNE SYSTEM complex, VIRAL PROTEIN/IMMUNE SYSTEM; VIRAL PROTEIN/IMMUNE SYSTEM
method	X-RAY DIFFRACTION

rg_guinier	24.95 Å
rg_electron	24.60 Å
i0	23623000.00
molecular_weight	36943.0 kDa
excluded_volume	46054 ų
envelope_volume	54868 ų
shell_volume	20157 ų
envelope_diameter	91.6 Å
shell_rg	29.56 Å
envelope_rg	25.08 Å
shape_rg	24.55 Å
total_rg	25.36 Å
total_atoms	2599
n_residues	331
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	69.1 Å
rg_real	23.69 Å
rg_real_error	0.15 Å
i0_real	2.2650e+07
i0_real_error	2.2340e+05
rg_reciprocal	25.19 Å
i0_reciprocal	23620000.0000
total_estimate	0.6774
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	23.0 Å
skewness	0.399
kurtosis	-0.514
angular_range	— – 0.3200 Å−1
current_alpha	2.1030
highest_alpha	4875000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.966; Stabil: 0.988; Sysdev: 0.000; Positv: 1.000; Valcen: 0.951; Smooth: 0.000

Unit Cell

length_a	88.100 Å
length_b	88.100 Å
length_c	235.680 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

Symmetry

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

Refinement

resolution	2.500 Å
resolution_low	37.660 Å
r_factor	—
r_work	0.2256
r_free	0.2503

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/uo/9uo0/pr_distribution.json
• pr_output /app/data/pr_computation/uo/9uo0/9uo0.pr.out
• pr_plot /app/data/visualization/pr_computation/uo/9uo0/9uo0_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/uo/9uo0/9uo0.dat
• saxs_fit /app/data/saxs_computation/uo/9uo0/9uo0.fit
• saxs_log /app/data/saxs_computation/uo/9uo0/9uo0.log
• saxs_plot /app/data/visualization/saxs_computation/uo/9uo0/9uo0_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/uo/9uo0/9uo0.fit
pddf	/app/data/pr_computation/uo/9uo0/9uo0.pr.out
profile	/app/data/saxs_computation/uo/9uo0/9uo0.dat