SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES

Method: SOLUTION NMR D_max: 42.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ax6
deposition_date	1997-10-30
title	SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES
keywords	DNA DUPLEX, AMINOFLUORENE ADDUCT, CARCINOGEN ADDUCT, HOT SPOT SEQUENCE, 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	12.46 Å
rg_electron	12.24 Å
i0	67823300.00
molecular_weight	41249.0 kDa
excluded_volume	40422 Å³
envelope_volume	15218 Å³
shell_volume	10038 Å³
envelope_diameter	45.8 Å
shell_rg	18.40 Å
envelope_rg	13.72 Å
shape_rg	12.11 Å
total_rg	12.71 Å
total_atoms	4290
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	42.7 Å
rg_real	12.48 Å
rg_real_error	0.36 Å
i0_real	6.7820e+07
i0_real_error	7.8080e+05
rg_reciprocal	12.48 Å
i0_reciprocal	67820000.0000
total_estimate	0.8677
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	14.6 Å
skewness	0.374
kurtosis	-0.268
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	134100.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.794; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.934; Smooth: 0.959

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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(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG)
formula_weight	3599.3 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	4290

description	DNA DUPLEX D(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG)
formula_weight	3110.0 kDa
src_method	syn
entity_count	1

SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; 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/1ax6/1ax6.fit
pddf	/app/data/pr_computation/ax/1ax6/1ax6.pr.out
profile	/app/data/saxs_computation/ax/1ax6/1ax6.dat