← Back to search

9zop

OXA-23-JDB/PQ-1-219, 3 min soak

Method: X-RAY DIFFRACTION D_max: 76.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9zop
deposition_date	2025-12-16
last_revision	2026-01-14
title	OXA-23-JDB/PQ-1-219, 3 min soak
keywords	antibiotic resistance, beta-lactamase, inhibitor, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.36 Å
rg_electron	18.26 Å
i0	13594300.00
molecular_weight	28257.0 kDa
excluded_volume	35647 Å³
envelope_volume	40007 Å³
shell_volume	18540 Å³
envelope_diameter	77.7 Å
shell_rg	24.37 Å
envelope_rg	18.80 Å
shape_rg	18.25 Å
total_rg	19.18 Å
total_atoms	1984
n_residues	245
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

▼

3. P(r) Analysis (GNOM)

dmax	76.7 Å
rg_real	19.36 Å
rg_real_error	0.64 Å
i0_real	1.3590e+07
i0_real_error	1.7330e+05
rg_reciprocal	19.36 Å
i0_reciprocal	13590000.0000
total_estimate	0.7741
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.8 Å
skewness	0.486
kurtosis	0.476
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	3924000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.427; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.780; Smooth: 0.997

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Beta-lactamase OXA-23
formula_weight	31054.8 kDa
ec_number	3.5.2.6
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2106

MNKYFTCYVVASLFLSGCTVQHNLINETPSQIVQGHNQVIHQYFDEKNTSGVLVIQTDKKINLYGNALSRANTEYVPASTFKMLNALIGLENQKTDINEIFKWKGEKRSFTAWEKDMTLGEAMKLSAVPVYQELARRIGLDLMQKEVKRIGFGNAEIGQQVDNFWLVGPLKVTPIQEVEFVSQLAHTQLPFSEKVQANVKNMLLLEESNGYKIFGKTGWAMDIKPQVGWLTGWVEQPDGKIVAFALNMEMRSEMPASIRNELLMKSLKQLNII

Source

organism	Acinetobacter baumannii
ncbi_taxonomy_id	470
host_organism	Escherichia coli

Entity 2 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	96

▶

6. Citations (1)

▶

length_a	83.043 Å
length_b	83.043 Å
length_c	84.148 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 42 21 2
int_tables_number	94
crystal_system	—

resolution	1.900 Å
resolution_low	37.530 Å
r_factor	0.2109
r_work	0.2087
r_free	0.2523

fit	/app/data/saxs_computation/zo/9zop/9zop.fit
pddf	/app/data/pr_computation/zo/9zop/9zop.pr.out
profile	/app/data/saxs_computation/zo/9zop/9zop.dat

OXA-23-JDB/PQ-1-219, 3 min soak

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