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1f5f

CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC

Method: X-RAY DIFFRACTION D_max: 49.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f5f
deposition_date	2000-06-14
title	CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC
keywords	Jellyroll, SIGNALING PROTEIN; SIGNALING PROTEIN
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	16.58 Å
rg_electron	14.99 Å
i0	7151480.00
molecular_weight	19542.0 kDa
excluded_volume	24464 Å³
envelope_volume	27161 Å³
shell_volume	14989 Å³
envelope_diameter	48.5 Å
shell_rg	21.18 Å
envelope_rg	15.19 Å
shape_rg	14.97 Å
total_rg	16.15 Å
total_atoms	1368
n_residues	172
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	49.2 Å
rg_real	16.41 Å
rg_real_error	0.22 Å
i0_real	7.1510e+06
i0_real_error	7.4930e+04
rg_reciprocal	16.43 Å
i0_reciprocal	7152000.0000
total_estimate	0.9026
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	22.4 Å
skewness	-0.024
kurtosis	-0.509
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	1182000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	SEX HORMONE-BINDING GLOBULIN
formula_weight	22610.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1524

LRPVLPTQSAHDPPAVHLSNGPGQEPIAVMTFDLTKITKTSSSFEVRTWDPEGVIFYGDTNPKDDWFMLGLRDGRPEIQLHNHWAQLTVGAGPRLDDGRWHQVEVKMEGDSVLLEVDGEEVLRLRQVSGPLTSKRHPIMRIALGGLLFPASNLRLPLVPALDGCLRRDSWLDKQAEISASAPTSLRSCDVESNPGIFLPPGTQAE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	5-ALPHA-DIHYDROTESTOSTERONE
formula_weight	290.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	130

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6. Citations (2)

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length_a	104.020 Å
length_b	104.020 Å
length_c	84.710 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	—

resolution	1.700 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1970
r_free	0.2590

fit	/app/data/saxs_computation/f5/1f5f/1f5f.fit
pddf	/app/data/pr_computation/f5/1f5f/1f5f.pr.out
profile	/app/data/saxs_computation/f5/1f5f/1f5f.dat