Crystal structure of SADS-CoV main protease with an added Asn51

Method: X-RAY DIFFRACTION D_max: 81.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vux
deposition_date	2025-07-14
title	Crystal structure of SADS-CoV main protease with an added Asn51
keywords	swine acute diarrhea syndrome coronavirus, main protease, VIRAL PROTEIN; VIRAL PROTEIN
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	26.61 Å
rg_electron	25.47 Å
i0	69393200.00
molecular_weight	64490.0 kDa
excluded_volume	80415 Å³
envelope_volume	96983 Å³
shell_volume	31545 Å³
envelope_diameter	83.8 Å
shell_rg	32.93 Å
envelope_rg	25.43 Å
shape_rg	25.47 Å
total_rg	26.26 Å
total_atoms	4531
n_residues	602
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	81.2 Å
rg_real	26.46 Å
rg_real_error	0.49 Å
i0_real	6.9390e+07
i0_real_error	9.3730e+05
rg_reciprocal	26.51 Å
i0_reciprocal	69400000.0000
total_estimate	0.9110
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	36.6 Å
skewness	0.116
kurtosis	-0.581
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	28760000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	121.110 Å
length_b	90.460 Å
length_c	68.300 Å
angle_alpha	90.00 °
angle_beta	95.59 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.960 Å
resolution_low	47.450 Å
r_factor	0.1936
r_work	0.1920
r_free	0.2239

description	ORF1ab polyprotein
formula_weight	32625.9 kDa
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4801

Crystal structure of SADS-CoV main protease with an added Asn51

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Swine acute diarrhea syndrome coronavirus
ncbi_taxonomy_id	2032731
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	245

fit	/app/data/saxs_computation/vu/9vux/9vux.fit
pddf	/app/data/pr_computation/vu/9vux/9vux.pr.out
profile	/app/data/saxs_computation/vu/9vux/9vux.dat