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1ess

STEROID TETHERED DNA, NMR, MINIMIZED AVERAGE STRUCTURE

Method: SOLUTION NMR D_max: 45.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ess
deposition_date	1997-06-17
title	STEROID TETHERED DNA, NMR, MINIMIZED AVERAGE STRUCTURE
keywords	DEOXYRIBONUCLEIC ACID, ESTRONE, DNA, STEROID TETHERED; DNA
method	SOLUTION NMR

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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	13.92 Å
rg_electron	12.93 Å
i0	1528440.00
molecular_weight	5597.0 kDa
excluded_volume	5661 Å³
envelope_volume	8088 Å³
shell_volume	6208 Å³
envelope_diameter	45.4 Å
shell_rg	16.45 Å
envelope_rg	13.06 Å
shape_rg	12.71 Å
total_rg	13.91 Å
total_atoms	598
n_residues	16
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	45.6 Å
rg_real	14.00 Å
rg_real_error	0.34 Å
i0_real	1.5280e+06
i0_real_error	1.8130e+04
rg_reciprocal	13.99 Å
i0_reciprocal	1528000.0000
total_estimate	0.8943
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	15.0 Å
skewness	0.361
kurtosis	-0.419
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	64150.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.876; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	;DNA (5'-D(PTPGPGPAPGPCPTPG)-3') ;
formula_weight	2482.6 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	A
atom_count	598

TGGAGCTG

Entity 2 polymer

description	;DNA (5'-D(PCPAPGPC)-3') ;
formula_weight	1175.8 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B

CAGC

Entity 3 polymer

description	;DNA (5'-D(PTPCPCPA)-3') ;
formula_weight	1150.8 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C

TCCA

Entity 4 non-polymer

description	O3-PHOSPHONOESTRONE
formula_weight	350.3 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

fit	/app/data/saxs_computation/es/1ess/1ess.fit
pddf	/app/data/pr_computation/es/1ess/1ess.pr.out
profile	/app/data/saxs_computation/es/1ess/1ess.dat

STEROID TETHERED DNA, NMR, MINIMIZED AVERAGE STRUCTURE

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)