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1dsa

(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES

Method: SOLUTION NMR D_max: 34.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dsa
deposition_date	1997-05-08
title	(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES
keywords	DUOCARMYCIN, DNA, MINOR GROOVE BINDING, ANTITUMOR AGENT, DRUG-DNA COMPLEX, DEOXYRIBONUCLEIC ACID; 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	12.12 Å
rg_electron	12.00 Å
i0	731436000.00
molecular_weight	143380.0 kDa
excluded_volume	143070 Å³
envelope_volume	11115 Å³
shell_volume	7995 Å³
envelope_diameter	42.4 Å
shell_rg	17.44 Å
envelope_rg	13.08 Å
shape_rg	11.83 Å
total_rg	12.35 Å
total_atoms	15140
n_residues	440
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	34.7 Å
rg_real	12.15 Å
rg_real_error	0.24 Å
i0_real	7.3140e+08
i0_real_error	8.4710e+06
rg_reciprocal	12.15 Å
i0_reciprocal	731400000.0000
total_estimate	0.8337
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	11.4 Å
skewness	0.319
kurtosis	-0.566
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	109600.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.957; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	;DNA (5'-D(GPAPCPTPAPAPTPTPGPAPC)-3', 5'-D(GPTPCPAPAPTPTPAPGPTPC)-3') ;
formula_weight	3357.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	A
atom_count	15140

GACTAATTGAC

Entity 2 polymer

description	;DNA (5'-D(GPAPCPTPAPAPTPTPGPAPC)-3', 5'-D(GPTPCPAPAPTPTPAPGPTPC)-3') ;
formula_weight	3348.2 kDa
src_method	syn
entity_count	1

Polymer

type	polydeoxyribonucleotide
strand_id	B

GTCAATTAGTC

Entity 3 non-polymer

description	;4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER ;
formula_weight	479.5 kDa
src_method	syn
entity_count	1

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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	—

fit	/app/data/saxs_computation/ds/1dsa/1dsa.fit
pddf	/app/data/pr_computation/ds/1dsa/1dsa.pr.out
profile	/app/data/saxs_computation/ds/1dsa/1dsa.dat

(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 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)