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1e7b

Crystal structure of human serum albumin complexed with the general anesthetic halothane

Method: X-RAY DIFFRACTION D_max: 141.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7b
deposition_date	2000-08-26
title	Crystal structure of human serum albumin complexed with the general anesthetic halothane
keywords	CARRIER PROTEIN, ALBUMIN, GENERAL ANESTHETIC, HALOTHANE; CARRIER 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	48.39 Å
rg_electron	48.51 Å
i0	232516000.00
molecular_weight	123150.0 kDa
excluded_volume	152410 Å³
envelope_volume	231800 Å³
shell_volume	40223 Å³
envelope_diameter	153.3 Å
shell_rg	52.20 Å
envelope_rg	46.80 Å
shape_rg	48.51 Å
total_rg	48.64 Å
total_atoms	8593
n_residues	1154
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	141.7 Å
rg_real	48.79 Å
rg_real_error	1.36 Å
i0_real	2.3250e+08
i0_real_error	4.3970e+06
rg_reciprocal	48.39 Å
i0_reciprocal	232400000.0000
total_estimate	0.7382
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	34.4 Å
skewness	0.246
kurtosis	-1.069
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	16940000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.653; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.635; Smooth: 0.000

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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	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	8650

DAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	SACCHAROMYCES CEREVISIAE

Entity 2 non-polymer

description	2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
formula_weight	197.4 kDa
src_method	syn
entity_count	6

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	57

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6. Citations (1)

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length_a	54.580 Å
length_b	54.960 Å
length_c	120.000 Å
angle_alpha	81.39 °
angle_beta	90.79 °
angle_gamma	65.55 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.380 Å
resolution_low	17.000 Å
r_factor	0.2700
r_work	0.2700
r_free	0.3030

fit	/app/data/saxs_computation/e7/1e7b/1e7b.fit
pddf	/app/data/pr_computation/e7/1e7b/1e7b.pr.out
profile	/app/data/saxs_computation/e7/1e7b/1e7b.dat

Crystal structure of human serum albumin complexed with 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