MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA

Method: SOLUTION NMR D_max: 39.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bps
deposition_date	1998-08-06
title	MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
keywords	DEOXYRIBONUCLEIC ACID, BENZO[A]PYRENE DIOL EPOXIDE ADDUCT, DUPLEX DNA, 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	11.99 Å
rg_electron	11.05 Å
i0	1710450.00
molecular_weight	5782.0 kDa
excluded_volume	5721 Å³
envelope_volume	7342 Å³
shell_volume	6252 Å³
envelope_diameter	38.9 Å
shell_rg	15.43 Å
envelope_rg	11.25 Å
shape_rg	10.86 Å
total_rg	12.13 Å
total_atoms	606
n_residues	18
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	39.3 Å
rg_real	11.97 Å
rg_real_error	0.29 Å
i0_real	1.7100e+06
i0_real_error	1.8530e+04
rg_reciprocal	11.97 Å
i0_reciprocal	1710000.0000
total_estimate	0.8134
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	14.9 Å
skewness	0.250
kurtosis	-0.281
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	73460.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.862; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.000

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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 (5'-D(GPGPTPCP(BAP)APCPGPAP*G)-3') ;
formula_weight	2780.8 kDa
src_method	syn
entity_count	1

type	polydeoxyribonucleotide
strand_id	A
atom_count	606

description	;DNA (5'-D(CPTPCPGPGPGPAPCP*C)-3') ;
formula_weight	2716.8 kDa
src_method	syn
entity_count	1

MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA

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/bp/1bps/1bps.fit
pddf	/app/data/pr_computation/bp/1bps/1bps.pr.out
profile	/app/data/saxs_computation/bp/1bps/1bps.dat