;STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES ;

Method: SOLUTION NMR D_max: 49.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1axo
deposition_date	1997-10-16
title	;STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES ;
keywords	DEOXYRIBONUCLEIC ACID, DNA, BENZO[A]PYRENE, CARCINOGEN; 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	13.69 Å
rg_electron	13.85 Å
i0	73693500.00
molecular_weight	43771.0 kDa
excluded_volume	43250 Å³
envelope_volume	14705 Å³
shell_volume	9224 Å³
envelope_diameter	53.5 Å
shell_rg	19.06 Å
envelope_rg	15.04 Å
shape_rg	13.79 Å
total_rg	14.16 Å
total_atoms	4566
n_residues	138
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	49.3 Å
rg_real	13.82 Å
rg_real_error	0.46 Å
i0_real	7.3690e+07
i0_real_error	9.1950e+05
rg_reciprocal	13.81 Å
i0_reciprocal	73690000.0000
total_estimate	0.8217
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	13.7 Å
skewness	0.523
kurtosis	-0.227
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	128700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.728; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.530; Smooth: 0.964

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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-[BP]G-CTACCATCC)D(GGATGGTAGC)
formula_weight	3880.6 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	4566

description	DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)
formula_weight	3125.1 kDa
src_method	syn
entity_count	1

;STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA 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	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
formula_weight	304.3 kDa
src_method	syn
entity_count	1

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