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9q0a

CTX-M-14 WT in complex with BLIP E73W

Method: X-RAY DIFFRACTION D_max: 73.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q0a
deposition_date	2025-08-12
title	CTX-M-14 WT in complex with BLIP E73W
keywords	Antibiotic resistance, inhibition, BLIP, beta-lactamase, PROTEIN BINDING, HYDROLASE-PROTEIN BINDING complex; HYDROLASE/PROTEIN BINDING
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	22.57 Å
rg_electron	21.76 Å
i0	36266500.00
molecular_weight	45556.0 kDa
excluded_volume	56621 Å³
envelope_volume	64219 Å³
shell_volume	24528 Å³
envelope_diameter	76.9 Å
shell_rg	28.79 Å
envelope_rg	22.00 Å
shape_rg	21.73 Å
total_rg	22.65 Å
total_atoms	3204
n_residues	428
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	73.9 Å
rg_real	22.51 Å
rg_real_error	0.37 Å
i0_real	3.6270e+07
i0_real_error	4.4460e+05
rg_reciprocal	22.53 Å
i0_reciprocal	36270000.0000
total_estimate	0.6883
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.9 Å
skewness	0.289
kurtosis	-0.342
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9518000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 0.130; Positv: 1.000; Valcen: 1.000; Smooth: 0.969

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Beta-lactamase
formula_weight	28000.5 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3597

QTSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	Beta-lactamase inhibitory protein
formula_weight	17613.6 kDa
mutation	E73W
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

AGVMTGAKFTQIQFGMTRQQVLDIAGAENCETGGSFGDSIHCRGHAAGDYYAYATFGFTSAAADAKVDSKSQWKLLAPSAPTLTLAKFNQVTVGMTRAQVLATVGQGSCTTWSEYYPAYPSTAGVTLSLSCFDVDGYSSTGFYRGSAHLWFTDGVLQGKRQWDLV

Source

organism	Streptomyces clavuligerus
ncbi_taxonomy_id	1901
host_organism	Komagataella pastoris

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	393

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6. Citations (1)

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length_a	43.170 Å
length_b	79.890 Å
length_c	118.080 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 2 21 21
int_tables_number	18
crystal_system	orthorhombic

resolution	1.650 Å
resolution_low	47.480 Å
r_factor	0.1874
r_work	0.1861
r_free	0.2115

fit	/app/data/saxs_computation/q0/9q0a/9q0a.fit
pddf	/app/data/pr_computation/q0/9q0a/9q0a.pr.out
profile	/app/data/saxs_computation/q0/9q0a/9q0a.dat

CTX-M-14 WT in complex with BLIP E73W

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)