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1e7c

HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane

Method: X-RAY DIFFRACTION D_max: 88.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7c
deposition_date	2000-08-26
title	HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane
keywords	PLASMA PROTEIN, METAL-BINDING, LIPID-BINDING, GENERAL ANESTHETIC, HALOTHANE; 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	28.70 Å
rg_electron	27.89 Å
i0	74147200.00
molecular_weight	66279.0 kDa
excluded_volume	82241 Å³
envelope_volume	104640 Å³
shell_volume	31918 Å³
envelope_diameter	94.8 Å
shell_rg	34.59 Å
envelope_rg	27.73 Å
shape_rg	27.93 Å
total_rg	28.43 Å
total_atoms	4596
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	88.8 Å
rg_real	28.64 Å
rg_real_error	0.66 Å
i0_real	7.4150e+07
i0_real_error	1.1080e+06
rg_reciprocal	28.66 Å
i0_reciprocal	74150000.0000
total_estimate	0.9093
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.9 Å
skewness	0.227
kurtosis	-0.528
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	10630000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.922

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	4635

DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	SACCHAROMYCES CEREVISIAE

Entity 2 non-polymer

description	MYRISTIC ACID
formula_weight	228.4 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
formula_weight	197.4 kDa
src_method	syn
entity_count	7

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	32

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6. Citations (1)

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length_a	188.910 Å
length_b	39.080 Å
length_c	96.690 Å
angle_alpha	90.00 °
angle_beta	105.41 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.400 Å
resolution_low	47.000 Å
r_factor	0.2320
r_work	0.2320
r_free	0.2820

fit	/app/data/saxs_computation/e7/1e7c/1e7c.fit
pddf	/app/data/pr_computation/e7/1e7c/1e7c.pr.out
profile	/app/data/saxs_computation/e7/1e7c/1e7c.dat

HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID and the general anesthetic halothane

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