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9qch

Complex of Ovine Serum Albumin with Cephalosporin C

Method: X-RAY DIFFRACTION D_max: 89.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qch
deposition_date	2025-03-04
last_revision	2026-02-04
title	Complex of Ovine Serum Albumin with Cephalosporin C
keywords	serum albumin, cephalosporin, 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	27.64 Å
rg_electron	26.70 Å
i0	78274900.00
molecular_weight	68198.0 kDa
excluded_volume	84846 Å³
envelope_volume	103880 Å³
shell_volume	32662 Å³
envelope_diameter	93.7 Å
shell_rg	33.73 Å
envelope_rg	26.85 Å
shape_rg	26.71 Å
total_rg	27.40 Å
total_atoms	4771
n_residues	581
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	89.2 Å
rg_real	27.55 Å
rg_real_error	0.58 Å
i0_real	7.8270e+07
i0_real_error	1.1720e+06
rg_reciprocal	27.58 Å
i0_reciprocal	78280000.0000
total_estimate	0.7117
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	34.4 Å
skewness	0.232
kurtosis	-0.444
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	12800000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 0.177; Positv: 1.000; Valcen: 1.000; Smooth: 0.979

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

Entity 1 polymer

description	Serum albumin
formula_weight	66427.8 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5328

DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFAKTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNECFLNHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIDAMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLLECADDRADLAKYICDHQDALSSKLKECCDKPVLEKSHCIAEVDKDAVPENLPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEYGFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKPFDEKFFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENFVAFVDKCCAADDKEGCFVLEGPKLVASTQAALA

Entity 2 non-polymer

description	MYRISTIC ACID
formula_weight	228.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	16

Entity 5 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	SUCCINIC ACID
formula_weight	118.1 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	NITRIC OXIDE
formula_weight	30.0 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

description	4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM
formula_weight	416.4 kDa
src_method	syn
entity_count	1

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	492

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6. Citations (1)

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length_a	120.310 Å
length_b	120.310 Å
length_c	123.019 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.198 Å
resolution_low	47.970 Å
r_factor	0.1593
r_work	0.1581
r_free	0.2087

fit	/app/data/saxs_computation/qc/9qch/9qch.fit
pddf	/app/data/pr_computation/qc/9qch/9qch.pr.out
profile	/app/data/saxs_computation/qc/9qch/9qch.dat