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1aqy

ESTROGEN SULFOTRANSFERASE WITH PAP

Method: X-RAY DIFFRACTION D_max: 90.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aqy
deposition_date	1997-08-04
title	ESTROGEN SULFOTRANSFERASE WITH PAP
keywords	TRANSFERASE, PAP, SULFOTRANSFERASE, SULFONATION, ESTROGEN, 17-BETA ESTRADIOL, STEROID-BINDING; TRANSFERASE
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	28.14 Å
i0	74294800.00
molecular_weight	68813.0 kDa
excluded_volume	86546 Å³
envelope_volume	107740 Å³
shell_volume	32472 Å³
envelope_diameter	94.9 Å
shell_rg	34.86 Å
envelope_rg	28.08 Å
shape_rg	28.13 Å
total_rg	28.85 Å
total_atoms	4836
n_residues	563
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	90.7 Å
rg_real	28.86 Å
rg_real_error	0.59 Å
i0_real	7.4290e+07
i0_real_error	1.0330e+06
rg_reciprocal	28.85 Å
i0_reciprocal	74290000.0000
total_estimate	0.8851
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.7 Å
skewness	0.391
kurtosis	-0.485
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	29210000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.845

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ESTROGEN SULFOTRANSFERASE
formula_weight	35784.3 kDa
ec_number	2.8.2.4
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5108

GSMETSMPEYYEVFGEFRGVLMDKRFTKYWEDVEMFLARPDDLVIATYPKSGTTWISEVVYMIYKEGDVEKCKEDAIFNRIPYLECRNEDLINGIKQLKEKESPRIVKTHLPPKLLPASFWEKNCKMIYLCRNAKDVAVSYYYFLLMITSYPNPKSFSEFVEKFMQGQVPYGSWYDHVKAWWEKSKNSRVLFMFYEDMKEDIRREVVKLIEFLERKPSAELVDRIIQHTSFQEMKNNPSTNYTMMPEEMMNQKVSPFMRKGIIGDWKNHFPEALRERFDEHYKQQMKDCTVKFRMEL

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 non-polymer

description	ADENOSINE-3'-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	272

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6. Citations (1)

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length_a	96.440 Å
length_b	79.180 Å
length_c	80.550 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.750 Å
resolution_low	50.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.2480

fit	/app/data/saxs_computation/aq/1aqy/1aqy.fit
pddf	/app/data/pr_computation/aq/1aqy/1aqy.pr.out
profile	/app/data/saxs_computation/aq/1aqy/1aqy.dat

ESTROGEN SULFOTRANSFERASE WITH PAP

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