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149d

SOLUTION STRUCTURE OF A PYRIMIDINE(DOT)PURINE(DOT) PYRIMIDINE DNA TRIPLEX CONTAINING T(DOT)AT, C+(DOT)GC AND G(DOT)TA TRIPLES

Method: SOLUTION NMR D_max: 31.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	149d
deposition_date	1993-11-15
title	SOLUTION STRUCTURE OF A PYRIMIDINE(DOT)PURINE(DOT) PYRIMIDINE DNA TRIPLEX CONTAINING T(DOT)AT, C+(DOT)GC AND G(DOT)TA TRIPLES
keywords	DNA, TRIPLEX; 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	10.51 Å
rg_electron	10.35 Å
i0	286222000.00
molecular_weight	87687.0 kDa
excluded_volume	86678 Å³
envelope_volume	9241 Å³
shell_volume	7612 Å³
envelope_diameter	35.4 Å
shell_rg	15.79 Å
envelope_rg	11.05 Å
shape_rg	10.16 Å
total_rg	10.78 Å
total_atoms	9296
n_residues	294
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	31.3 Å
rg_real	10.42 Å
rg_real_error	0.22 Å
i0_real	2.8620e+08
i0_real_error	2.8970e+06
rg_reciprocal	10.43 Å
i0_reciprocal	286200000.0000
total_estimate	0.9062
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	13.1 Å
skewness	0.010
kurtosis	-0.520
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	84880.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	5'-D(CPCPTPAPTPTP*C)-3'
formula_weight	2048.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	A
atom_count	9296

CCTATTC

Entity 2 polymer

description	5'-D(GPAPAPTPAPGP*G)-3'
formula_weight	2186.5 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B

GAATAGG

Entity 3 polymer

description	5'-D(CPTPTPGPTPCP*C)-3'
formula_weight	2064.4 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	C

CTTGTCC

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6. Citations (4)

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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/49/149d/149d.fit
pddf	/app/data/pr_computation/49/149d/149d.pr.out
profile	/app/data/saxs_computation/49/149d/149d.dat

SOLUTION STRUCTURE OF A PYRIMIDINE(DOT)PURINE(DOT) PYRIMIDINE DNA TRIPLEX CONTAINING T(DOT)AT, C+(DOT)GC AND G(DOT)TA TRIPLES

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 (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)