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1e7i

HUMAN SERUM ALBUMIN COMPLEXED WITH OCTADECANOIC ACID (STEARIC ACID)

Method: X-RAY DIFFRACTION D_max: 88.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7i
deposition_date	2000-08-29
title	HUMAN SERUM ALBUMIN COMPLEXED WITH OCTADECANOIC ACID (STEARIC ACID)
keywords	PLASMA PROTEIN, METAL-BINDING, LIPID-BINDING; PLASMA 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	28.81 Å
rg_electron	27.81 Å
i0	67353100.00
molecular_weight	65903.0 kDa
excluded_volume	83247 Å³
envelope_volume	102980 Å³
shell_volume	31680 Å³
envelope_diameter	94.3 Å
shell_rg	34.24 Å
envelope_rg	27.58 Å
shape_rg	27.82 Å
total_rg	28.47 Å
total_atoms	4619
n_residues	582
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	88.5 Å
rg_real	28.75 Å
rg_real_error	0.59 Å
i0_real	6.7350e+07
i0_real_error	9.4230e+05
rg_reciprocal	28.78 Å
i0_reciprocal	67350000.0000
total_estimate	0.9087
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.8 Å
skewness	0.222
kurtosis	-0.529
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	8652000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.899

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	SERUM ALBUMIN
formula_weight	66571.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4665

DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	SACCHAROMYCES CEREVISIAE

Entity 2 non-polymer

description	STEARIC ACID
formula_weight	284.5 kDa
src_method	syn
entity_count	7

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	26

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6. Citations (1)

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length_a	189.600 Å
length_b	38.840 Å
length_c	95.980 Å
angle_alpha	90.00 °
angle_beta	105.49 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.700 Å
resolution_low	40.000 Å
r_factor	0.2040
r_work	0.2040
r_free	0.2580

fit	/app/data/saxs_computation/e7/1e7i/1e7i.fit
pddf	/app/data/pr_computation/e7/1e7i/1e7i.pr.out
profile	/app/data/saxs_computation/e7/1e7i/1e7i.dat

HUMAN SERUM ALBUMIN COMPLEXED WITH OCTADECANOIC ACID (STEARIC ACID)

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