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9q0c

TEM-1 WT in complex with BLIP E73W

Method: X-RAY DIFFRACTION D_max: 97.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q0c
deposition_date	2025-08-12
title	TEM-1 WT in complex with BLIP E73W
keywords	beta-lactamase, inhibitory, protein, BLIP, TEM, 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	30.56 Å
rg_electron	29.99 Å
i0	141193000.00
molecular_weight	92926.0 kDa
excluded_volume	115610 Å³
envelope_volume	137020 Å³
shell_volume	38028 Å³
envelope_diameter	101.5 Å
shell_rg	37.25 Å
envelope_rg	29.84 Å
shape_rg	29.98 Å
total_rg	30.61 Å
total_atoms	6529
n_residues	855
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	97.1 Å
rg_real	30.52 Å
rg_real_error	0.64 Å
i0_real	1.4120e+08
i0_real_error	2.0350e+06
rg_reciprocal	30.54 Å
i0_reciprocal	141200000.0000
total_estimate	0.9013
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	33.6 Å
skewness	0.281
kurtosis	-0.511
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	39000000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.921

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Beta-lactamase TEM
formula_weight	28942.0 kDa
ec_number	3.5.2.6
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	6997

HPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW

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	2

Polymer

type	polypeptide(L)
strand_id	B,D

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	468

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6. Citations (1)

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length_a	48.960 Å
length_b	105.220 Å
length_c	82.070 Å
angle_alpha	90.00 °
angle_beta	96.19 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	1.780 Å
resolution_low	38.040 Å
r_factor	0.1781
r_work	0.1762
r_free	0.2150

fit	/app/data/saxs_computation/q0/9q0c/9q0c.fit
pddf	/app/data/pr_computation/q0/9q0c/9q0c.pr.out
profile	/app/data/saxs_computation/q0/9q0c/9q0c.dat

TEM-1 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)