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9s42

Complex of Equine Serum Albumin with Hydrolyzed Ampicillin

Method: X-RAY DIFFRACTION D_max: 88.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s42
deposition_date	2025-07-25
last_revision	2026-02-04
title	Complex of Equine Serum Albumin with Hydrolyzed Ampicillin
keywords	serum albumin, hydrolyzed ampicillin, TRANSPORT PROTEIN; TRANSPORT PROTEIN
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	27.31 Å
rg_electron	26.35 Å
i0	72607200.00
molecular_weight	66010.0 kDa
excluded_volume	82384 Å³
envelope_volume	101540 Å³
shell_volume	32268 Å³
envelope_diameter	92.0 Å
shell_rg	33.47 Å
envelope_rg	26.51 Å
shape_rg	26.35 Å
total_rg	27.12 Å
total_atoms	4626
n_residues	580
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	88.1 Å
rg_real	27.21 Å
rg_real_error	0.53 Å
i0_real	7.2610e+07
i0_real_error	9.6150e+05
rg_reciprocal	27.24 Å
i0_reciprocal	72610000.0000
total_estimate	0.9008
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.4 Å
skewness	0.227
kurtosis	-0.429
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	10060000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	Albumin
formula_weight	65854.2 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4773

DTHKSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKKCAADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECFLTHKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPELLFHAEEYKADFTECCPADDKLACLIPKLDALKERILLSSAKERLKCSSFQNFGERAVKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLECADDRADLAKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLPALAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTYEATLEKCCAEADPPACYRTVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDFQNALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHLALALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYVPKEFKAETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSAFVAKCCGREDKEACFAEEGPKLVASSQLALA

Entity 2 non-polymer

description	(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
formula_weight	367.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	(2S)-2-hydroxybutanedioic acid
formula_weight	134.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	SUCCINIC ACID
formula_weight	118.1 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	2

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	137

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6. Citations (1)

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length_a	93.470 Å
length_b	93.470 Å
length_c	141.675 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.320 Å
resolution_low	44.380 Å
r_factor	0.1784
r_work	0.1748
r_free	0.2458

fit	/app/data/saxs_computation/s4/9s42/9s42.fit
pddf	/app/data/pr_computation/s4/9s42/9s42.pr.out
profile	/app/data/saxs_computation/s4/9s42/9s42.dat