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9y8w

MERS Mpro with EGT710

Method: X-RAY DIFFRACTION D_max: 122.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9y8w
deposition_date	2025-09-11
last_revision	2025-12-24
title	MERS Mpro with EGT710
keywords	Mpro MERS Covid, HYDROLASE; HYDROLASE
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	36.38 Å
rg_electron	36.15 Å
i0	507200000.00
molecular_weight	121610.0 kDa
excluded_volume	117500 Å³
envelope_volume	211700 Å³
shell_volume	49994 Å³
envelope_diameter	129.6 Å
shell_rg	41.25 Å
envelope_rg	35.81 Å
shape_rg	36.14 Å
total_rg	36.42 Å
total_atoms	9142
n_residues	1201
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	122.2 Å
rg_real	36.50 Å
rg_real_error	1.11 Å
i0_real	5.0720e+08
i0_real_error	9.3930e+06
rg_reciprocal	36.43 Å
i0_reciprocal	507200000.0000
total_estimate	0.8557
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	39.8 Å
skewness	0.478
kurtosis	-0.165
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	19770000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.806; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.730

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	3C-like proteinase nsp5
formula_weight	33354.2 kDa
ec_number	3.4.22.-
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	9156

SGLVKMSHPSGDVEACMVQVTCGSMTLNGLWLDNTVWCPRHVMCPADQLSDPNYDALLISMTNHSFSVQKHIGAPANLRVVGHAMQGTLLKLTVDVANPSTPAYTFTTVKPGAAFSVLACYNGRPTGTFTVVMRPNYTIKGSFLCGSCGSVGYTKEGSVINFCYMHQMELANGTHTGSAFDGTMYGAFMDKQVHQVQLTDKYCSVNVVAWLYAAILNGCAWFVKPNRTSVVSFNEWALANQFTEFVGTQSVDMLAVKTGVAIEQLLYAIQQLYTGFQGKQILGSTMLEDEFTPEDVNMQIMGVVMQ

Source

organism	Middle East respiratory syndrome-related coronavirus
ncbi_taxonomy_id	1335626
host_organism	Escherichia coli

Entity 2 non-polymer

description	(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]imidazolidin-2-one
formula_weight	385.3 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	4

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6. Citations (1)

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length_a	87.114 Å
length_b	94.645 Å
length_c	153.924 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	3.040 Å
resolution_low	75.810 Å
r_factor	0.2305
r_work	0.2281
r_free	0.2780

fit	/app/data/saxs_computation/y8/9y8w/9y8w.fit
pddf	/app/data/pr_computation/y8/9y8w/9y8w.pr.out
profile	/app/data/saxs_computation/y8/9y8w/9y8w.dat

MERS Mpro with EGT710

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