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9q5u

Crystal structure of Aeromonas salmonicida putative carbohydrate binding module and split domain

Method: X-RAY DIFFRACTION D_max: 76.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q5u
deposition_date	2025-08-21
title	Crystal structure of Aeromonas salmonicida putative carbohydrate binding module and split domain
keywords	Adhesins, Aquaculture, Aeromonads, Biofilms, Glycan-binding, Calcium-containing, CELL ADHESION; CELL ADHESION
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	23.25 Å
rg_electron	22.10 Å
i0	19318400.00
molecular_weight	32879.0 kDa
excluded_volume	40882 Å³
envelope_volume	48780 Å³
shell_volume	19406 Å³
envelope_diameter	76.2 Å
shell_rg	27.87 Å
envelope_rg	22.26 Å
shape_rg	22.05 Å
total_rg	23.03 Å
total_atoms	2311
n_residues	311
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	76.1 Å
rg_real	23.32 Å
rg_real_error	0.54 Å
i0_real	1.9320e+07
i0_real_error	2.7220e+05
rg_reciprocal	23.31 Å
i0_reciprocal	19320000.0000
total_estimate	0.8889
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.2 Å
skewness	0.358
kurtosis	-0.539
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	3365000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.908; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	RTX protein
formula_weight	34317.7 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2364

HHHHHHMDDAPLAGNADAVSVAKTDIPKVLTGLFDLTQHSATANQRELDLDGFKITAKGFKSATDSALIAADVNASTAGLGVASGNSPYHNLANEVDFRLFDNGKSASEELIVKLDPGTVAYGANIKFSQMFGGEKESGVVEFYRGGVLISTLTFSSDAAGGEYNQNFQVQQGGFDTMVIKATNNGNTNISDNSDFTVKSIEFLGTTTPQAIAYGSGTVAPQWGADGKGHIDLLGSNEVGLMTATGKEISISSKAGLPNTLYGEASDGSLVFRLEFTPATGKWEFFQYQNMSRPLGDGDIDFQIKVVDADGDSSLGSFATKPLVT

Source

organism	Aeromonas salmonicida subsp. salmonicida A449
ncbi_taxonomy_id	382245
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	5

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	53

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6. Citations (1)

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length_a	31.279 Å
length_b	81.231 Å
length_c	56.133 Å
angle_alpha	90.00 °
angle_beta	99.03 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	2.500 Å
resolution_low	45.790 Å
r_factor	0.2248
r_work	0.2196
r_free	0.3156

fit	/app/data/saxs_computation/q5/9q5u/9q5u.fit
pddf	/app/data/pr_computation/q5/9q5u/9q5u.pr.out
profile	/app/data/saxs_computation/q5/9q5u/9q5u.dat

Crystal structure of Aeromonas salmonicida putative carbohydrate binding module and split domain

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