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11tv

;Crystal structure of alpha/beta-hydrolase macrolide esterase EstX from Escherichia coli (S102A mutant) in complex with linearized tylosin ;

Method: X-RAY DIFFRACTION D_max: 83.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11tv
deposition_date	2026-03-12
last_revision	2026-04-08
title	;Crystal structure of alpha/beta-hydrolase macrolide esterase EstX from Escherichia coli (S102A mutant) in complex with linearized tylosin ;
keywords	alpha/beta-hydrolase, esterase, macrolide resistance, 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	27.19 Å
rg_electron	26.68 Å
i0	117692000.00
molecular_weight	58556.0 kDa
excluded_volume	57588 Å³
envelope_volume	90944 Å³
shell_volume	28895 Å³
envelope_diameter	86.7 Å
shell_rg	33.64 Å
envelope_rg	26.67 Å
shape_rg	26.67 Å
total_rg	27.23 Å
total_atoms	4598
n_residues	559
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	83.4 Å
rg_real	27.27 Å
rg_real_error	0.57 Å
i0_real	1.1770e+08
i0_real_error	1.6860e+06
rg_reciprocal	27.25 Å
i0_reciprocal	117700000.0000
total_estimate	0.8819
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.385
kurtosis	-0.577
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	28040000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.758

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	alpha/beta-hydrolase macrolide esterase EstX
formula_weight	31058.2 kDa
mutation	S102A
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	D,A
atom_count	4933

MKEKVVVDKAISLYTESFGDPAHEPIILIMGAMSSAVWWPDEFCSQLAKMGRYVIRYDHRDTGKSTSYEPGQAPYSVEELADDVVRVIDGYGLEAAHLVGMALGGFLSQLVALKYPKRVKSLTLIASERLADADPDMPAFDPAIIEYHQRAESLDWSDRDAVVAYQVGAWRINSGTAHAFDAEKIQNIAELNFDRTPNILTTFNHTTLGGGERWLGRLNEIAVPTLIIHGTEDPVLPYVHGLALKDAIRGSKMLTLEGTGHELHHEDWPRIIQAIKGQTS

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21

Entity 2 non-polymer

description	;(3~{R},4~{S},5~{S},6~{R},8~{R},10~{E},12~{E},14~{R},15~{R})-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-3,15-bis(oxidanyl)-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadeca-10,12-dienoic acid ;
formula_weight	934.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	324

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6. Citations (1)

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length_a	44.594 Å
length_b	72.691 Å
length_c	82.051 Å
angle_alpha	90.00 °
angle_beta	95.73 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.650 Å
resolution_low	29.020 Å
r_factor	0.1654
r_work	0.1642
r_free	0.1988

fit	/app/data/saxs_computation/1t/11tv/11tv.fit
pddf	/app/data/pr_computation/1t/11tv/11tv.pr.out
profile	/app/data/saxs_computation/1t/11tv/11tv.dat

;Crystal structure of alpha/beta-hydrolase macrolide esterase EstX from Escherichia coli (S102A mutant) in complex with linearized tylosin ;

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