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9w12

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with ZOL-P

Method: X-RAY DIFFRACTION D_max: 72.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9w12
deposition_date	2025-07-25
last_revision	2026-03-18
title	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with ZOL-P
keywords	ER-alpha, ZOL-P, TRANSCRIPTION; TRANSCRIPTION
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	23.29 Å
rg_electron	22.38 Å
i0	101657000.00
molecular_weight	53273.0 kDa
excluded_volume	51587 Å³
envelope_volume	83615 Å³
shell_volume	29925 Å³
envelope_diameter	73.0 Å
shell_rg	30.24 Å
envelope_rg	22.49 Å
shape_rg	22.38 Å
total_rg	23.01 Å
total_atoms	4016
n_residues	497
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	72.2 Å
rg_real	23.12 Å
rg_real_error	0.29 Å
i0_real	1.0170e+08
i0_real_error	1.3850e+06
rg_reciprocal	23.16 Å
i0_reciprocal	101700000.0000
total_estimate	0.8993
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.097
kurtosis	-0.532
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	20990000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Estrogen receptor
formula_weight	29701.0 kDa
mutation	Y537S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4270

GAGAGSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRLHAPTSAILHRLLQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	(4S,8S,11S,12E)-4-methyl-8,11,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
formula_weight	336.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	239

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6. Citations (1)

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length_a	52.753 Å
length_b	102.430 Å
length_c	195.933 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	1.750 Å
resolution_low	24.790 Å
r_factor	0.1681
r_work	0.1667
r_free	0.1966

fit	/app/data/saxs_computation/w1/9w12/9w12.fit
pddf	/app/data/pr_computation/w1/9w12/9w12.pr.out
profile	/app/data/saxs_computation/w1/9w12/9w12.dat