SARS-CoV-2 nucleocapsid C-terminal domain in complex with BCY00018176

entry_id	9rxl
deposition_date	2025-07-11
title	SARS-CoV-2 nucleocapsid C-terminal domain in complex with BCY00018176
keywords	bicyclic peptides, antibody mimic, ELISA, LFIA, diagnostic, VIRAL PROTEIN; VIRAL PROTEIN
method	X-RAY DIFFRACTION

rg_guinier	19.98 Å
rg_electron	19.04 Å
i0	16117400.00
molecular_weight	29988.0 kDa
excluded_volume	37469 ų
envelope_volume	44020 ų
shell_volume	19287 ų
envelope_diameter	61.9 Å
shell_rg	25.06 Å
envelope_rg	19.23 Å
shape_rg	18.98 Å
total_rg	20.06 Å
total_atoms	2119
n_residues	264
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	60.4 Å
rg_real	19.86 Å
rg_real_error	0.32 Å
i0_real	1.6120e+07
i0_real_error	1.9400e+05
rg_reciprocal	19.88 Å
i0_reciprocal	16120000.0000
total_estimate	0.9121
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.108
kurtosis	-0.524
angular_range	— – 0.4000 Å−1
current_alpha	0.0000
highest_alpha	2391000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.986

Unit Cell

length_a	73.043 Å
length_b	73.043 Å
length_c	116.864 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

Symmetry

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

Refinement

resolution	1.460 Å
resolution_low	61.940 Å
r_factor	0.1844
r_work	0.1829
r_free	0.2145

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/rx/9rxl/pr_distribution.json
• pr_output /app/data/pr_computation/rx/9rxl/9rxl.pr.out
• pr_plot /app/data/visualization/pr_computation/rx/9rxl/9rxl_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/rx/9rxl/9rxl.dat
• saxs_fit /app/data/saxs_computation/rx/9rxl/9rxl.fit
• saxs_log /app/data/saxs_computation/rx/9rxl/9rxl.log
• saxs_plot /app/data/visualization/saxs_computation/rx/9rxl/9rxl_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/rx/9rxl/9rxl.fit
pddf	/app/data/pr_computation/rx/9rxl/9rxl.pr.out
profile	/app/data/saxs_computation/rx/9rxl/9rxl.dat