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1bo6

ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE

Method: X-RAY DIFFRACTION D_max: 90.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bo6
deposition_date	1998-08-10
title	ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE
keywords	TRANSFERASE, PAP, SULFOTRANSFERASE, SULFONATION, VANADATE; 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	27.97 Å
rg_electron	27.36 Å
i0	75220500.00
molecular_weight	69170.0 kDa
excluded_volume	86862 Å³
envelope_volume	101410 Å³
shell_volume	31330 Å³
envelope_diameter	92.3 Å
shell_rg	34.25 Å
envelope_rg	27.45 Å
shape_rg	27.36 Å
total_rg	28.04 Å
total_atoms	4855
n_residues	564
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	90.2 Å
rg_real	28.04 Å
rg_real_error	0.45 Å
i0_real	7.5220e+07
i0_real_error	9.2450e+05
rg_reciprocal	28.02 Å
i0_reciprocal	75220000.0000
total_estimate	0.8858
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.399
kurtosis	-0.475
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0001
highest_alpha	29620000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.944

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	5040

GSMETSMPEYYEVFGEFRGVLMDKRFTKYWEDVEMFLARPDDLVIATYPKSGTTWISEVVYMIYKEGDVEKCKEDAIFNRIPYLECRNEDLINGIKQLKEKESPRIVKTHLPPKLLPASFWEKNCKMIYLCRNAKDVAVSYYYFLLMITSYPNPKSFSEFVEKFMQGQVPYGSWYDHVKAWWEKSKNSRVLFMFYEDMKEDIRREVVKLIEFLERKPSAELVDRIIQHTSFQEMKNNPSTNYTMMPEEMMNQKVSPFMRKGIIGDWKNHFPEALRERFDEHYKQQMKDCTVKFRMEL

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 non-polymer

description	VANADATE ION
formula_weight	114.9 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	185

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6. Citations (1)

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length_a	96.292 Å
length_b	78.909 Å
length_c	80.362 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	2.100 Å
resolution_low	50.000 Å
r_factor	0.2070
r_work	0.2070
r_free	0.2490

fit	/app/data/saxs_computation/bo/1bo6/1bo6.fit
pddf	/app/data/pr_computation/bo/1bo6/1bo6.pr.out
profile	/app/data/saxs_computation/bo/1bo6/1bo6.dat

ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE

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