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1a52

ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL

Method: X-RAY DIFFRACTION D_max: 81.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a52
deposition_date	1998-02-19
title	ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL
keywords	RECEPTOR, ESTROGEN, LIGAND, TRANSCRIPTION REGULATION; RECEPTOR
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	24.12 Å
rg_electron	23.34 Å
i0	51505200.00
molecular_weight	56017.0 kDa
excluded_volume	69873 Å³
envelope_volume	82857 Å³
shell_volume	28985 Å³
envelope_diameter	87.4 Å
shell_rg	30.66 Å
envelope_rg	24.14 Å
shape_rg	23.39 Å
total_rg	23.97 Å
total_atoms	3842
n_residues	479
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	81.1 Å
rg_real	24.04 Å
rg_real_error	0.64 Å
i0_real	5.1510e+07
i0_real_error	7.6810e+05
rg_reciprocal	24.06 Å
i0_reciprocal	51510000.0000
total_estimate	0.7933
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	29.1 Å
skewness	0.310
kurtosis	-0.161
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	7289000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.770; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ESTROGEN RECEPTOR
formula_weight	29507.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3901

MIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHERLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	ESTRADIOL
formula_weight	272.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	GOLD ION
formula_weight	197.0 kDa
src_method	syn
entity_count	6

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	30

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6. Citations (1)

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length_a	147.000 Å
length_b	147.000 Å
length_c	168.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	36

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	2.800 Å
resolution_low	50.000 Å
r_factor	0.2230
r_work	0.2230
r_free	0.2740

fit	/app/data/saxs_computation/a5/1a52/1a52.fit
pddf	/app/data/pr_computation/a5/1a52/1a52.pr.out
profile	/app/data/saxs_computation/a5/1a52/1a52.dat

ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL

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