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9q0b

CTX-M-15 WT in complex with BLIP E73W

Method: X-RAY DIFFRACTION D_max: 72.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q0b
deposition_date	2025-08-12
title	CTX-M-15 WT in complex with BLIP E73W
keywords	beta-lactamase, BLIP, beta-lactamase inhibitory protein, 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	22.61 Å
rg_electron	21.75 Å
i0	36169000.00
molecular_weight	45392.0 kDa
excluded_volume	56451 Å³
envelope_volume	64325 Å³
shell_volume	24574 Å³
envelope_diameter	73.4 Å
shell_rg	28.77 Å
envelope_rg	22.00 Å
shape_rg	21.73 Å
total_rg	22.65 Å
total_atoms	3191
n_residues	425
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	72.3 Å
rg_real	22.55 Å
rg_real_error	0.41 Å
i0_real	3.6170e+07
i0_real_error	4.7510e+05
rg_reciprocal	22.57 Å
i0_reciprocal	36170000.0000
total_estimate	0.8958
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.4 Å
skewness	0.284
kurtosis	-0.366
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9750000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Beta-lactamase CTX-M-15
formula_weight	27909.6 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3693

ADVQQKLAELERQSGGRLGVALINTADNSQILYRADERFAMCSTSKVMAAAAVLKKSESEPNLLNQRVEIKKSDLVNYNPIAEKHVNGTMSLAELSAAALQYSDNVAMNKLIAHVGGPASVTAFARQLGDETFRLDRTEPTLNTAIPGDPRDTTSPRAMAQTLRNLTLGKALGDSQRAQLVTWMKGNTTGAASIQAGLPASWVVGDKTGSGGYGTTNDIAVIWPKDRAPLILVTYFTQPQPKAESRRDVLASAAKIVTDGL

Source

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

Entity 2 polymer

description	Beta-lactamase inhibitory protein
formula_weight	17542.5 kDa
mutation	E73W
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

GVMTGAKFTQIQFGMTRQQVLDIAGAENCETGGSFGDSIHCRGHAAGDYYAYATFGFTSAAADAKVDSKSQWKLLAPSAPTLTLAKFNQVTVGMTRAQVLATVGQGSCTTWSEYYPAYPSTAGVTLSLSCFDVDGYSSTGFYRGSAHLWFTDGVLQGKRQWDLV

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	502

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6. Citations (1)

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length_a	47.460 Å
length_b	81.960 Å
length_c	129.074 Å
angle_alpha	90.00 °
angle_beta	96.14 °
angle_gamma	90.00 °
z_pdb	4

space_group	I 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.580 Å
resolution_low	40.980 Å
r_factor	0.1640
r_work	0.1631
r_free	0.1816

fit	/app/data/saxs_computation/q0/9q0b/9q0b.fit
pddf	/app/data/pr_computation/q0/9q0b/9q0b.pr.out
profile	/app/data/saxs_computation/q0/9q0b/9q0b.dat

CTX-M-15 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)