SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES

Method: SOLUTION NMR D_max: 46.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ax7
deposition_date	1997-10-30
title	SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES
keywords	DNA DUPLEX, AMINOFLUORENE ADDUCT, CARCINOGEN ADDUCT, TEMPLATE-PRIMER JUNCTION, DNA; 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	13.82 Å
rg_electron	13.61 Å
i0	67970300.00
molecular_weight	41291.0 kDa
excluded_volume	40556 Å³
envelope_volume	18089 Å³
shell_volume	10820 Å³
envelope_diameter	48.7 Å
shell_rg	19.64 Å
envelope_rg	14.99 Å
shape_rg	13.51 Å
total_rg	14.06 Å
total_atoms	4302
n_residues	132
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	46.9 Å
rg_real	13.87 Å
rg_real_error	0.38 Å
i0_real	6.7970e+07
i0_real_error	7.6770e+05
rg_reciprocal	13.86 Å
i0_reciprocal	67970000.0000
total_estimate	0.8773
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	14.8 Å
skewness	0.373
kurtosis	-0.378
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	235700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.833; Smooth: 0.943

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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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	—

description	DNA DUPLEX D(AAC-[AF]G-CTACCATCC)D(GGATGGTAG)
formula_weight	3880.6 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	4302

description	DNA DUPLEX D(AAC-[AF]G-CTACCATCC)D(GGATGGTAG)
formula_weight	2835.9 kDa
src_method	syn
entity_count	1

SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES

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 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	2-AMINOFLUORENE
formula_weight	181.2 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/ax/1ax7/1ax7.fit
pddf	/app/data/pr_computation/ax/1ax7/1ax7.pr.out
profile	/app/data/saxs_computation/ax/1ax7/1ax7.dat