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9u3o

Crystal structure of Chi430 mutant E176A in the substrate complex

Method: X-RAY DIFFRACTION D_max: 70.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u3o
deposition_date	2025-03-18
title	Crystal structure of Chi430 mutant E176A in the substrate complex
keywords	Chitinase, complex, 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	21.96 Å
rg_electron	20.67 Å
i0	36066400.00
molecular_weight	46663.0 kDa
excluded_volume	58342 Å³
envelope_volume	65407 Å³
shell_volume	25540 Å³
envelope_diameter	71.9 Å
shell_rg	28.22 Å
envelope_rg	20.98 Å
shape_rg	20.65 Å
total_rg	21.64 Å
total_atoms	3295
n_residues	410
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	70.1 Å
rg_real	21.81 Å
rg_real_error	0.45 Å
i0_real	3.6070e+07
i0_real_error	4.5240e+05
rg_reciprocal	21.83 Å
i0_reciprocal	36070000.0000
total_estimate	0.8120
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	28.2 Å
skewness	0.167
kurtosis	-0.372
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	8600000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	chitinase
formula_weight	46017.4 kDa
ec_number	3.2.1.14
mutation	E176A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3505

EQKVVAGYFADWQYANAENPYTVKDIPADKLTHVIYAFLSMCGPHTGASETVQNLVAKQCEGKDPYTAIIVDTEAALEKNFGAVSVNVPYKGHFAQLAEMKKQHPDLKILPSFGGWTMSEPFHAMAKNKQAMDQFSKSAVELIAQYDFFDGIDLDWAYPGGGGLTTSPWNPDTKLSDEQKASEREAFTYLVKTMRAELDELTNQTKREYELSTAVGVGPKAAGIDWKAAEPYLTNMFAMTYDFLGGWGQQTGHTTNLHATERSWWGMGADVFINQMIELGIPSEKLVIGAAFYGRGWQGTKDFSGGLPTQDLVSEQGAQFGTGENGYFMFWDLVKNYGAKQGYEYKYDEQSQAPYLWNPEKKVFISYEDQRSIKAKANWAKQANLGGIFTWELSGDPKGELVEVMYQEMQK

Source

organism	Vibrio parahaemolyticus
ncbi_taxonomy_id	670
host_organism	Escherichia coli BL21(DE3)

Entity 2 branched

description	;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	830.8 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	210

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6. Citations (1)

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length_a	121.676 Å
length_b	49.858 Å
length_c	92.602 Å
angle_alpha	90.00 °
angle_beta	125.62 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.350 Å
resolution_low	49.510 Å
r_factor	0.1851
r_work	0.1842
r_free	0.2033

fit	/app/data/saxs_computation/u3/9u3o/9u3o.fit
pddf	/app/data/pr_computation/u3/9u3o/9u3o.pr.out
profile	/app/data/saxs_computation/u3/9u3o/9u3o.dat

Crystal structure of Chi430 mutant E176A in the substrate complex

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