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1efh

CRYSTAL STRUCTURE OF THE HUMAN HYDROXYSTEROID SULFOTRANSFERASE IN THE PRESENCE OF PAP

Method: X-RAY DIFFRACTION D_max: 88.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1efh
deposition_date	2000-02-08
title	CRYSTAL STRUCTURE OF THE HUMAN HYDROXYSTEROID SULFOTRANSFERASE IN THE PRESENCE OF PAP
keywords	hydroxysteroid, sulfotransferase, DHEA, A3P, PAPS, SULT2A3, TRANSFERASE; 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	26.87 Å
rg_electron	25.95 Å
i0	66517200.00
molecular_weight	65932.0 kDa
excluded_volume	83248 Å³
envelope_volume	97863 Å³
shell_volume	31516 Å³
envelope_diameter	92.1 Å
shell_rg	33.21 Å
envelope_rg	26.00 Å
shape_rg	25.94 Å
total_rg	26.75 Å
total_atoms	4657
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	88.0 Å
rg_real	26.86 Å
rg_real_error	0.72 Å
i0_real	6.6520e+07
i0_real_error	9.8800e+05
rg_reciprocal	26.87 Å
i0_reciprocal	66520000.0000
total_estimate	0.8106
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.3 Å
skewness	0.367
kurtosis	-0.340
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	19860000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.852; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HYDROXYSTEROID SULFOTRANSFERASE
formula_weight	34545.6 kDa
ec_number	2.8.2.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4842

MSDDFLWFEGIAFPTMGFRSETLRKVRDEFVIRDEDVIILTYPKSGTNWLAEILCLMHSKGDAKWIQSVPIWERSPWVESEIGYTALSETESPRLFSSHLPIQLFPKSFFSSKAKVIYLMRNPRDVLVSGYFFWKNMKFIKKPKSWEEYFEWFCQGTVLYGSWFDHIHGWMPMREEKNFLLLSYEELKQDTGRTIEKICQFLGKTLEPEELNLILKNSSFQSMKENKMSNYSLLSVDYVVDKAQLLRKGVSGDWKNHFTVAQAEDFDKLFQEKMADLPRKLAAALEHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
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	185

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6. Citations (1)

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length_a	73.190 Å
length_b	96.820 Å
length_c	127.380 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	0.2040
r_work	0.2020
r_free	0.2390

fit	/app/data/saxs_computation/ef/1efh/1efh.fit
pddf	/app/data/pr_computation/ef/1efh/1efh.pr.out
profile	/app/data/saxs_computation/ef/1efh/1efh.dat

CRYSTAL STRUCTURE OF THE HUMAN HYDROXYSTEROID SULFOTRANSFERASE IN THE PRESENCE OF 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