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9u7q

Chitinase ChiA mutant - C61A/C79A

Method: X-RAY DIFFRACTION D_max: 69.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u7q
deposition_date	2025-03-25
last_revision	2025-07-30
title	Chitinase ChiA mutant - C61A/C79A
keywords	Chitinase, mutant, 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	21.99 Å
rg_electron	20.71 Å
i0	35043000.00
molecular_weight	46212.0 kDa
excluded_volume	57857 Å³
envelope_volume	65162 Å³
shell_volume	25423 Å³
envelope_diameter	71.4 Å
shell_rg	28.16 Å
envelope_rg	20.99 Å
shape_rg	20.70 Å
total_rg	21.64 Å
total_atoms	3266
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	69.9 Å
rg_real	21.83 Å
rg_real_error	0.36 Å
i0_real	3.5040e+07
i0_real_error	4.4730e+05
rg_reciprocal	21.86 Å
i0_reciprocal	35040000.0000
total_estimate	0.8919
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.151
kurtosis	-0.411
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	7764000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.872; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	chitinase
formula_weight	46011.3 kDa
ec_number	3.2.1.14
mutation	C61A,C79A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3434

EQKVVAGYFADWQYANAENPYTVKDIPADKLTHVIYAFLSMAGPHTGASETVQNLVAKQAEGKDPYTAIIVDTEAALEKNFGAVSVNVPYKGHFAQLAEMKKQHPDLKILPSFGGWTMSEPFHAMAKNKQAMDQFSKSAVELIAQYDFFDGIDLDWEYPGGGGLTTSPWNPDTKLSDEQKASEREAFTYLVKTMRAELDELTNQTKREYELSTAVGVGPKAAGIDWKAAEPYLTNMFAMTYDFLGGWGQQTGHTTNLHATERSWWGMGADVFINQMIELGIPSEKLVIGAAFYGRGWQGTKDFSGGLPTQDLVSEQGAQFGTGENGYFMFWDLVKNYGAKQGYEYKYDEQSQAPYLWNPEKKVFISYEDQRSIKAKANWAKQANLGGIFTWELSGDPKGELVEVMYQEMQK

Source

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

Entity 2 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	282.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	168

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6. Citations (1)

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length_a	89.258 Å
length_b	50.157 Å
length_c	90.997 Å
angle_alpha	90.00 °
angle_beta	95.03 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.600 Å
resolution_low	44.457 Å
r_factor	—
r_work	0.1733
r_free	0.1999

fit	/app/data/saxs_computation/u7/9u7q/9u7q.fit
pddf	/app/data/pr_computation/u7/9u7q/9u7q.pr.out
profile	/app/data/saxs_computation/u7/9u7q/9u7q.dat

Chitinase ChiA mutant - C61A/C79A

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